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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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Advanced Electrode Materials for Electrochemical Energy Storage and Conversion, 3rd Edition
edited by , , and Juzhe Liu
submission deadline 15 Aug 2025 | 1 articles | Viewed by 1027 | Submission Open
Keywords: clean energy; advanced electrode material; morphology and structural regulation; electrocatalysis; battery; supercapacitor; electrochemical energy storage; electrochemical energy conversion
(This special issue belongs to the Section Electrochemistry)
Synthesis and Crystal Structure Studies of Metal Complexes
edited by Anna Świtlicka
submission deadline 20 Aug 2025 | 2 articles | Viewed by 1948 | Submission Open
Keywords: synthesis; crystal structure; physical properties; X-ray diffraction; coordination complexes; d- and f-block metal atoms; functional materials; applications
(This special issue belongs to the Section Inorganic Chemistry)
Green and Environmentally Friendly Visible-Light- and Transition Metal-Catalyzed Synthesis
edited by
submission deadline 30 Aug 2025 | 2 articles | Viewed by 3234 | 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)
Recent Experimental and Theoretical Advances of Corrosion Protection
edited by , Miguel Castro, Guillermo E. Negrón-Silva and
submission deadline 30 Aug 2025 | 1 articles | Viewed by 1439 | Submission Open
Keywords: electrochemical techniques; synthesis of corrosion inhibitors; molecular dynamics; quantum theoretical modelling; coatings
(This special issue belongs to the Section Electrochemistry)
Advances in the Theoretical and Computational Chemistry submission deadline 31 Aug 2025 | 31 articles | Viewed by 88135 | Submission Open
Keywords: chemical reactivity; reaction mechanisms; potential energy surface exploration methods: ab-initio; monte-carlo; and meta molecular; dynamics; non-covalent interactions effects; solvent effects; electron transfer and redox processes; photochemical reactions; reaction forces analysis; reactivity prediction
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactivity of Natural Compounds: From Plants to Humans
edited by
submission deadline 31 Aug 2025 | 16 articles | Viewed by 27124 | Submission Open
Keywords: natural compounds; blood vessel; endothelium dysfunction; advanced glycation end products (AGEs); ROS; cytokines; ADMET properties; pharmacokinetics; gender difference
(This special issue belongs to the Section Natural Products Chemistry)
Exploring Bioactive Organic Compounds for Drug Discovery, 2nd Edition
edited by
submission deadline 31 Aug 2025 | 14 articles | Viewed by 25914 | Submission Open
Keywords: bioactive compounds; bioactivity evaluation; drug discovery; medicinal chemistry; chemical biology; natural products; lead compounds and pharmacophores; molecular design and organic synthesis
(This special issue belongs to the Section Chemical Biology)
Metal Ions in Supramolecular Chemistry: A Themed Issue in Honor of Professor Luigi Fabbrizzi
edited by
submission deadline 31 Aug 2025 | 8 articles | Viewed by 21615 | Submission Open
Keywords: supramolecular chemistry; noncovalent interactions; metal-promoted self-assembly; molecular recognition; molecular switches
(This special issue belongs to the Section Inorganic Chemistry)
Small Molecule Hybrids for Anticancer and Antiviral Therapy submission deadline 31 Aug 2025 | 7 articles | Viewed by 19186 | Submission Open
Keywords: hybrid compounds; bioconjugation; anticancer agents; small-molecule engineered hybrids; antiviral activity; drug development; chemical design and synthesis; biological activity; drug resistance
(This special issue belongs to the Section Medicinal Chemistry)
Natural Products: Isolation, Analysis and Biological Activity, 2nd Edition
edited by Hazem Salaheldin Elshafie and
submission deadline 31 Aug 2025 | 4 articles | Viewed by 18541 | Submission Open
Keywords: essential oils; plant extracts; biological activities; antiproliferative activity; enzymatic inhibitor activity; phytotoxic activity; bioactive compounds in natural products; secondary metabolites; structure– activity relationships; antimicrobial activity; phytopathogens
(This special issue belongs to the Section Natural Products Chemistry)
Carbon-Based Electrochemical Materials for Energy Storage
edited by Huicong Xia
submission deadline 31 Aug 2025 | 10 articles | Viewed by 13651 | Submission Open
Keywords: carbon-based nanomaterials; energy storage; batteries; supercapacitors; fuel cells; electrochemical reactions
(This special issue belongs to the Section Electrochemistry)
Effects of Functional Foods and Dietary Bioactives on Human Health
edited by , and Xiao Hu
submission deadline 31 Aug 2025 | 9 articles | Viewed by 13273 | Submission Open
Keywords: food science; bioactive peptides; nutrition and health science; bioactive compounds; drug discovery; synthesis; pharmacological activity; functional foods
(This special issue belongs to the Section Food Chemistry)
Metabolites of Biofunctional Interest from Plant Sources submission deadline 31 Aug 2025 | 8 articles | Viewed by 12994 | Submission Open
Keywords: plant metabolites; biological activity; medicinal plants; functional plants; plant extracts
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Molecular Modeling in Chemistry, 2nd Edition
edited by and Shiling Yuan
submission deadline 31 Aug 2025 | 8 articles | Viewed by 12781 | Submission Open
Keywords: molecular modeling; applications; quantum chemistry calculation; molecular dynamic simulation; Monte Carlo simulation; combined experimental and simulation studies
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Novel Adsorbents for Environmental Pollutants' Removal
edited by Jiwei Hu
submission deadline 31 Aug 2025 | 6 articles | Viewed by 9560 | Submission Open
Keywords: novel adsorbents; environmental pollutants removal; synthesis and self-assembly; characterization; low dimensional carbon-based nanocomposites; metal-organic framework-derived nanohybrids; adsorption isotherm; adsorption thermodynamics and kinetics; applications of artificial intelligence and molecular modeling
(This special issue belongs to the Section Applied Chemistry)
Potential of Natural Products as Drug Leads Possessing Antioxidant, Antiaging and Anticancer Properties submission deadline 31 Aug 2025 | 4 articles | Viewed by 9441 | Submission Open
Keywords: natural compounds; plant extracts; plant secondary metabolites; oxidative stress; tumor; skin; aging; phytochemistry
(This special issue belongs to the Section Natural Products Chemistry)
Two-Dimensional Materials: From Synthesis to Applications, 2nd Edition submission deadline 31 Aug 2025 | 7 articles | Viewed by 8894 | Submission Open
Keywords: two-dimensional materials; graphene; transition-metal dichalcogenides; spintronics; valleytronics; twistronics; plasmonics; photonics
(This special issue belongs to the Section Materials Chemistry)
Porphyrin-Based Compounds: Synthesis and Application, 2nd Edition submission deadline 31 Aug 2025 | 6 articles | Viewed by 7828 | Submission Open
Keywords: synthesis of porphyrins and derivatives; functionalization/structural modification of porphyrinoids; structural and photophysical characterization; porphyrinic functional materials; biomedical applications optoelectronic applications; porphyrin– protein interactions
(This special issue belongs to the Section Organic Chemistry)
Application of Spectroscopy for Drugs
edited by
submission deadline 31 Aug 2025 | 3 articles | Viewed by 7443 | Submission Open
Keywords: structure and dynamics; analytical techniques; biomolecular interactions; pharmacokinetics; metabolism; drug stability; drug discovery
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Compounds from Natural Sources: Discovery, Evaluation and Applications, 2nd Edition submission deadline 31 Aug 2025 | 6 articles | Viewed by 7348 | Submission Open
Keywords: bioactive compound; natural product; isolation; synthesis; structural elucidation; bioactivity evaluation
(This special issue belongs to the Section Natural Products Chemistry)
Research Progress and Application of Natural Compounds—2nd Edition submission deadline 31 Aug 2025 | 4 articles | Viewed by 6871 | Submission Open
Keywords: natural products; primary and secondary metabolites; bioactive compounds; bioactive peptides; anticancer natural products; flavonoids; drug design
(This special issue belongs to the Section Natural Products Chemistry)
Current Research Status of Metal-Organic Frameworks and Covalent Organic Frameworks
edited by Teng Zhang and Wenju Wang
submission deadline 31 Aug 2025 | 5 articles | Viewed by 6593 | Submission Open
Keywords: gas separation; gas storage; catalyst; chemical sensing; biological application; energy storage
(This special issue belongs to the Section Materials Chemistry)
Bio-Based Polymers for Sustainable Future
edited by
submission deadline 31 Aug 2025 | 7 articles | Viewed by 6565 | Submission Open
Keywords: bio-based polymers; bio-based composites; bio-based textiles; bio-based polymers for 3D printing; bio-based packaging; functional bio-based polymers; recyclability and biodegradation of bio-based polymers; LCA of bio-based polymers; application of bio-based polymers
(This special issue belongs to the Section Materials Chemistry)
Biobased Materials for Tissue Engineering submission deadline 31 Aug 2025 | 3 articles | Viewed by 6513 | Submission Open
Keywords: biobased materials; biopolymers; scaffold development; tissue engineering; regenerative therapy; cell culture; stem cell therapy; drug delivery; hydrogels; wound dressing
(This special issue belongs to the Section Materials Chemistry)
Amphiphilic Molecules, Interfaces and Colloids: 2nd Edition
edited by and Khristo Khristov
submission deadline 31 Aug 2025 | 7 articles | Viewed by 6464 | Submission Open
Keywords: emulsions; foams; sols; gels; amphiphilic molecules; self-assembled structures; phase behavior; surface forces; intermolecular forces; adsorption; rheology; design of functionalized colloids; thin liquid films
(This special issue belongs to the Section Physical Chemistry)
Novel Analytical Methods to Evaluate and Monitor the Pollutants
edited by
submission deadline 31 Aug 2025 | 3 articles | Viewed by 6460 | Submission Open
Keywords: environmental analytical chemistry; contaminants; environmental pollution; chemosensors; chromatography; analytical methods; detection; analysis
(This special issue belongs to the Section Analytical Chemistry)
New Achievements and Challenges in Food Chemistry
edited by and Qiuming Chen
submission deadline 31 Aug 2025 | 5 articles | Viewed by 5904 | Submission Open
Keywords: food processing innovations; alternative proteins; bioactive compounds; food safety; food storage; flavour chemistry; food enzyme design; AI-assisted technologies; novel analytical methods
(This special issue belongs to the Section Food Chemistry)
Recent Advances in Natural Compounds Research: Chemistry, Biology and Biotechnology submission deadline 31 Aug 2025 | 4 articles | Viewed by 5267 | Submission Open
Keywords: bioactive constituents; phytoextract; biological activity
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials
edited by Zhaoyang Wang and Jiuzhong Huang
submission deadline 31 Aug 2025 | 5 articles | Viewed by 4481 | Submission Open
Keywords: organic synthetic methods; synthesize pharmaceuticals; agrochemicals; and materials; organic photosynthesis; organic electrochemical synthesis; biocatalysis; AI-based organic synthesis
(This special issue belongs to the Section Organic Chemistry)
Exclusive Feature Papers in Analytical Chemistry submission deadline 31 Aug 2025 | 6 articles | Viewed by 4125 | Submission Open
Keywords: analytical chemistry; instrumentation; environment and food; pharmaceutical industry; green chemistry
(This special issue belongs to the Section Analytical Chemistry)
Porous Carbon Materials: Preparation and Application
edited by
submission deadline 31 Aug 2025 | 6 articles | Viewed by 3742 | Submission Open
Keywords: porous carbon materials; energy storage; environmental science; sensors; adsorption; catalysis
(This special issue belongs to the Section Applied Chemistry)
New Insights into Flavour Chemistry
edited by , and Jingya Ai
submission deadline 31 Aug 2025 | 2 articles | Viewed by 3722 | Submission Open
Keywords: flavor science; perception mechanisms; sensory perception; health; flavor analysis techniques
(This special issue belongs to the Section Flavours and Fragrances)
Advances in Phenolic Based Complexes
edited by
submission deadline 31 Aug 2025 | 4 articles | Viewed by 3541 | Submission Open
Keywords: phenolic compounds; complexes; structure; properties; applications; analysis
Organic Synthesis of Nitrogen-Containing Molecules
edited by and Guofu Zhong
submission deadline 31 Aug 2025 | 2 articles | Viewed by 2785 | Submission Open
Keywords: asymmetric synthesis; N-heterocycles; noncyclic amino compound; amino compound; new synthetic methodologies
(This special issue belongs to the Section Organic Chemistry)
Chemical Design and Synthesis of Antimicrobial Drugs
edited by Ma Su and
submission deadline 31 Aug 2025 | 3 articles | Viewed by 2649 | Submission Open
Keywords: antimicrobial drugs; rational design; drug resistance; ESKAPE pathogens; structure– activity relationship; advanced skeleton
(This special issue belongs to the Section Medicinal Chemistry)
Advances in the Application of Nanoparticles in Antimicrobial Research submission deadline 31 Aug 2025 | 2 articles | Viewed by 2402 | Submission Open
Keywords: nanoparticles; nanobiomaterials; antimicrobial activity; antimicrobial resistance; photodynamic antimicrobial therapy; innovation; drug delivery; sustainability
(This special issue belongs to the Section Nanochemistry)
Virgin Olive Oil: Processing, Byproducts, Quality Control, and Nutraceutical Profile—3rd Edition submission deadline 31 Aug 2025 | 3 articles | Viewed by 2249 | Submission Open
Keywords: virgin olive oil quality authentication; byproduct management; volatile compounds; phenolic compounds; sensory analysis; health-promoting properties; biological activity; authentication of origin; innovative extraction processes
(This special issue belongs to the Section Natural Products Chemistry)
Antioxidant Activity of Plant Phenolics, 2nd Edition submission deadline 31 Aug 2025 | 1 articles | Viewed by 2147 | Submission Open
Keywords: antioxidants; plants; phytochemical compounds; polyphenols; oxidative stress; natural products; bioactive compounds; herbs; biomarkers
(This special issue belongs to the Section Natural Products Chemistry)
Design, Synthesis and Biological Evaluation of Novel Small Molecules Inhibitors, 2nd Edition
edited by
submission deadline 31 Aug 2025 | 1 articles | Viewed by 2114 | Submission Open
Keywords: small molecules; inhibitors; natural products; drug design; synthetic strategies; structure– activity relationship; docking studies; drug delivery; in vivo; in vitro; and ex vivo evaluation; biological activity; molecular mechanisms
(This special issue belongs to the Section Medicinal Chemistry)
Ionic Liquids and Deep Eutectic Solvents in Green Chemistry
edited by Marina Cvjetko Bubalo, and
submission deadline 31 Aug 2025 | 1 articles | Viewed by 1876 | Submission Open
Keywords: ionic liquids; deep eutectic solvents; green chemistry
(This special issue belongs to the Section Green Chemistry)
Exclusive Feature Papers on Molecular Structure, 2nd Edition
edited by
submission deadline 31 Aug 2025 | 3 articles | Viewed by 1829 | Submission Open
Keywords: molecular structure; chemical bonding; molecular clusters; molecular similarity; protein structure prediction; quantum chemistry; spectroscopy; molecular dynamics simulations
(This special issue belongs to the Section Molecular Structure)
Microwave-Assisted Synthesis and Extraction in Green Chemistry
edited by Yusuke Asakuma and Quan V. Vuong
submission deadline 31 Aug 2025 | 1 articles | Viewed by 1753 | Submission Open
Keywords: microwave extraction; synthesis; green chemistry; microwave engineering; microwave radiation effect; microwave extraction of natural products
(This special issue belongs to the Section Green Chemistry)
Synthesis, Characterization and Application of Photocatalytic Materials
edited by and
submission deadline 31 Aug 2025 | 1 articles | Viewed by 1633 | Submission Open
Keywords: nanomaterials; nanocomposites; morphology modulation; vacancy engineering; band alignment; atomic modulation; waste water treatment; organic pollutant; water splitting
(This special issue belongs to the Section Photochemistry)
Extraction, Isolation, and Identification of Bioactive Compounds from Plants submission deadline 31 Aug 2025 | 1 articles | Viewed by 1564 | Submission Open
Keywords: natural products; extraction methods; isolation methods; chromatography; chemical characterization; bioactivity; antioxidant; antimicrobial; antiinflammation; bio-guided assay; biopesticides; biostimulants; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
5th Anniversary of Applied Chemistry Section
edited by
submission deadline 31 Aug 2025 | 2 articles | Viewed by 1530 | Submission Open
Keywords: applied chemistry; new molecules and natural materials; solar energy and photo-electro-catalysis; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry
(This special issue belongs to the Section Applied Chemistry)
Natural Products Biosynthesis: Present and Perspectives
edited by Dae-Yeon Suh
submission deadline 31 Aug 2025 | 1 articles | Viewed by 1237 | Submission Open
Keywords: natural products biosynthesis; secondary metabolism; biosynthetic pathway; enzyme mechanism; synthetic biology; bioinformatics; phylogenomics; genome mining
(This special issue belongs to the Section Natural Products Chemistry)
Methods and Applications of Cycloaddition Reactions
edited by
submission deadline 31 Aug 2025 | 1 articles | Viewed by 1234 | Submission Open
Keywords: cycloaddition reactions; organic synthesis; quantum– chemical calculations; cycloaddition in medicinal chemistry; cycloaddition in polymer chemistry; cycloaddition in materials science; bioactive compounds; click chemistry
(This special issue belongs to the Section Organic Chemistry)
Mesoporous Materials for Electrochemical Energy Storage
edited by Shuge Dai and
submission deadline 31 Aug 2025 | 1 articles | Viewed by 1063 | Submission Open
Keywords: mesoporous materials; energy storage; electrocatalyst; water splitting
(This special issue belongs to the Section Materials Chemistry)
Antioxidant, and Anti-Inflammatory Activities of Natural Plants
edited by Zofia Niziol-Lukaszewska and Aleksandra Ziemlewska
submission deadline 31 Aug 2025 | 1 articles | Viewed by 1037 | Submission Open
Keywords: antioxidant activities; anti-inflammatory activities; extraction methods; isolation of active compounds; biological activity; cosmetic application; plant extracts; natural compounds
(This special issue belongs to the Section Natural Products Chemistry)
Chromatography—The Ultimate Analytical Tool, 3rd Edition submission deadline 31 Aug 2025 | 1 articles | Viewed by 897 | Submission Open
Keywords: chromatography; high-performance liquid chromatography; ultra-high-performance liquid chromatography; gas chromatography; two-dimensional gas chromatography; two-dimensional liquid chromatography; paper chromatography; liquid chromatography; preparative chromatography; supercritical fluid chromatography; thin-layer chromatography
(This special issue belongs to the Section Analytical Chemistry)
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