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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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Catalysis for Green Chemistry II
edited by
submission deadline 1 Aug 2025 | 5 articles | Viewed by 7280
Keywords: green chemistry; green synthesis; catalysis; metal catalysis; organocatalysis
(This special issue belongs to the Section Green Chemistry)
Current Advances in Environmental Analytical Chemistry
edited by Mi Jang and
submission deadline 1 Aug 2025 | Viewed by 171
Keywords: analytical chemistry; plastic chemicals; high-resolution instrumental analysis; environmental science; environmental pollution; atmospheric photochemical interaction; chemometrics
(This special issue belongs to the Section Analytical Chemistry)
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 955 | 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 1912 | 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 3135 | 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 1393 | 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 87323 | 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 26684 | 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 25204 | 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 21515 | 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 18986 | 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 | 3 articles | Viewed by 17663 | 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 13408 | Submission Open
Keywords: carbon-based nanomaterials; energy storage; batteries; supercapacitors; fuel cells; electrochemical reactions
(This special issue belongs to the Section Electrochemistry)
Metabolites of Biofunctional Interest from Plant Sources submission deadline 31 Aug 2025 | 8 articles | Viewed by 12830 | Submission Open
Keywords: plant metabolites; biological activity; medicinal plants; functional plants; plant extracts
(This special issue belongs to the Section Natural Products Chemistry)
Effects of Functional Foods and Dietary Bioactives on Human Health
edited by , and Xiao Hu
submission deadline 31 Aug 2025 | 9 articles | Viewed by 12625 | 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)
Advances in Molecular Modeling in Chemistry, 2nd Edition
edited by and Shiling Yuan
submission deadline 31 Aug 2025 | 8 articles | Viewed by 12610 | 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 9442 | 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 9292 | 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 8714 | 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 7719 | 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 7327 | 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 7171 | 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 6734 | 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 6403 | Submission Open
Keywords: gas separation; gas storage; catalyst; chemical sensing; biological application; energy storage
(This special issue belongs to the Section Materials Chemistry)
Biobased Materials for Tissue Engineering submission deadline 31 Aug 2025 | 3 articles | Viewed by 6348 | 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 6279 | 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 6273 | Submission Open
Keywords: environmental analytical chemistry; contaminants; environmental pollution; chemosensors; chromatography; analytical methods; detection; analysis
(This special issue belongs to the Section Analytical Chemistry)
Bio-Based Polymers for Sustainable Future
edited by
submission deadline 31 Aug 2025 | 7 articles | Viewed by 6263 | 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)
New Achievements and Challenges in Food Chemistry
edited by and Qiuming Chen
submission deadline 31 Aug 2025 | 5 articles | Viewed by 5686 | 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 4788 | 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 4374 | 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 3988 | Submission Open
Keywords: analytical chemistry; instrumentation; environment and food; pharmaceutical industry; green chemistry
(This special issue belongs to the Section Analytical Chemistry)
New Insights into Flavour Chemistry
edited by , and Jingya Ai
submission deadline 31 Aug 2025 | 2 articles | Viewed by 3677 | Submission Open
Keywords: flavor science; perception mechanisms; sensory perception; health; flavor analysis techniques
(This special issue belongs to the Section Flavours and Fragrances)
Porous Carbon Materials: Preparation and Application
edited by
submission deadline 31 Aug 2025 | 6 articles | Viewed by 3486 | Submission Open
Keywords: porous carbon materials; energy storage; environmental science; sensors; adsorption; catalysis
(This special issue belongs to the Section Applied Chemistry)
Advances in Phenolic Based Complexes
edited by
submission deadline 31 Aug 2025 | 4 articles | Viewed by 3384 | 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 2717 | 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 2447 | 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)
Emerging Topics in Luminescent Materials
edited by Dineshkumar Sengottuvelu and Mohammed Majdoub
submission deadline 31 Aug 2025 | 2 articles | Viewed by 2385 | Submission Open
Keywords: luminous materials; light-emitting devices; photoluminescence properties; quantum dots; perovskite LEDs; sensing materials; biomedical devices; photocatalysis
(This special issue belongs to the Section Materials Chemistry)
Advances in the Application of Nanoparticles in Antimicrobial Research submission deadline 31 Aug 2025 | 2 articles | Viewed by 2320 | Submission Open
Keywords: nanoparticles; nanobiomaterials; antimicrobial activity; antimicrobial resistance; photodynamic antimicrobial therapy; innovation; drug delivery; sustainability
(This special issue belongs to the Section Nanochemistry)
Antioxidant Activity of Plant Phenolics, 2nd Edition submission deadline 31 Aug 2025 | 1 articles | Viewed by 2122 | 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)
Virgin Olive Oil: Processing, Byproducts, Quality Control, and Nutraceutical Profile—3rd Edition submission deadline 31 Aug 2025 | 2 articles | Viewed by 2086 | 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)
Design, Synthesis and Biological Evaluation of Novel Small Molecules Inhibitors, 2nd Edition
edited by
submission deadline 31 Aug 2025 | 1 articles | Viewed by 2055 | 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 1803 | 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 1747 | 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 1724 | 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 1609 | 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 1527 | 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 1468 | 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 1214 | 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 1205 | 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)
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