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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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Organic Molecules in Drug Discovery and Development
edited by
submission deadline 31 Mar 2026 | 7 articles | Viewed by 14378 | Submission Open
Keywords: organic chemistry; chemical synthesis; chemical modifications; organic molecules; molecular mechanisms; bioactivity; drug development; drugs
(This special issue belongs to the Section Medicinal Chemistry)
Green Chemistry Approaches to Analysis and Environmental Remediation
edited by
submission deadline 31 Mar 2026 | 9 articles | Viewed by 13348 | Submission Open
Keywords: chromatography; mass spectrometry; extraction; green analytical chemistry; emerging contaminants
(This special issue belongs to the Section Analytical Chemistry)
In Silico Methods Applied in Drug and Pesticide Discovery, 3rd Edition submission deadline 31 Mar 2026 | 6 articles | Viewed by 12694 | 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)
Review Papers in Analytical Chemistry, 2nd Edition
edited by
submission deadline 31 Mar 2026 | 4 articles | Viewed by 12207 | Submission Open
Keywords: analytical chemistry; analytical spectroscopy; environmental sciences; medical science; forensic science; cultural heritage; food analysis
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in Adsorbents for Environmental Pollution and Resource Recycling
edited by Wei Wang and Lang Yang
submission deadline 31 Mar 2026 | 5 articles | Viewed by 11677 | Submission Open
Keywords: adsorption; molecular structure design; environmental pollution; metal enrichment extraction; resource recycling; adsorbent preparation and synthesis; wastewater treatment
(This special issue belongs to the Section Green Chemistry)
Chemistry of Nucleic Acids: From Structure to Biological Interactions
edited by and Federica D'Aria
submission deadline 31 Mar 2026 | 6 articles | Viewed by 11251 | Submission Open
Keywords: nucleic acid structures and function; modified nucleic acids; nucleic acid-targeting ligands; physicochemical studies of nucleic acids; thermodynamics and kinetics of nucleic acid structures; structure– function relationship of nucleic acids; nucleic acid– protein interactions; aptamers
(This special issue belongs to the Section Chemical Biology)
Synthetic Studies Aimed at Heterocyclic Organic Compounds, 2nd Edition
edited by
submission deadline 31 Mar 2026 | 9 articles | Viewed by 10738 | Submission Open
Keywords: heterocycles; synthesis; methods; medicinal; agricultural
(This special issue belongs to the Section Organic Chemistry)
Design, Synthesis and Applications of Novel Transition Metal Catalysts
edited by Hui Jiang and Junfang Gong
submission deadline 31 Mar 2026 | 6 articles | Viewed by 10195 | Submission Open
Keywords: pincer catalysts; transition metal catalysts; organic synthetic methodologies; photocatalysis; electrocatalysis; polymerization; fine chemistry
(This special issue belongs to the Section Applied Chemistry)
Renewable Energy, Fuels and Chemicals from Biomass, 2nd Edition
edited by and
submission deadline 31 Mar 2026 | 5 articles | Viewed by 10010 | Submission Open
Keywords: biomass conversion technologies; renewable energy; biofuel synthesis; catalytic biomass transformation; bioethanol; biodiesel; green/sustainable chemistry; biotechnological applications
(This special issue belongs to the Section Applied Chemistry)
Novel Metabolism-Related Biomarkers in Cancer submission deadline 31 Mar 2026 | 6 articles | Viewed by 9099 | Submission Open
Keywords: cancer biomarkers; personalized medicine; metabolism; glucose; amino acid; glutamine; lipid; iron
(This special issue belongs to the Section Bioorganic Chemistry)
Heterogeneous Catalysts: From Synthesis to Application
edited by Milan Kralik
submission deadline 31 Mar 2026 | 3 articles | Viewed by 8942 | Submission Open
Keywords: heterogeneous catalyst; acid– base; redox; enzymatic; electrocatalytic; photocatalytic; chemical specialties; characterization methods; mathematical modelling; process design; ecology; safety; economy
(This special issue belongs to the Section Organic Chemistry)
Hypervalent Iodine Chemistry: Promise and Prospects
edited by
submission deadline 31 Mar 2026 | 2 articles | Viewed by 8591 | 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 | 5 articles | Viewed by 8480 | 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)
Multifunctional Natural Ingredients in Skin Protection and Care, 2nd Edition submission deadline 31 Mar 2026 | 3 articles | Viewed by 6790 | Submission Open
Keywords: plant extracts; natural compounds; biological activity; cosmetics; antioxidant; anti-aging; skin lightening; UV-protection
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in the Toxicology and Safety of Medicinal Plants and Natural Products submission deadline 31 Mar 2026 | 4 articles | Viewed by 6620 | 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)
Quantum Chemical Calculations of Molecular Reaction Processes, 2nd Edition
edited by and Shiro Koseki
submission deadline 31 Mar 2026 | 6 articles | Viewed by 6534 | Submission Open
Keywords: computational chemistry; electronic structure; MO theory; DFT calculation; reaction process; Ab initio molecular dynamics; molecular design
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Extraction, Isolation, and Identification of Bioactive Compounds from Plants submission deadline 31 Mar 2026 | 4 articles | Viewed by 5569 | 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)
Molecular Docking in Drug Discovery, 2nd Edition
edited by
submission deadline 31 Mar 2026 | 5 articles | Viewed by 5364 | 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)
Advances in the Application of Nanoparticles in Antimicrobial Research submission deadline 31 Mar 2026 | 3 articles | Viewed by 5171 | Submission Open
Keywords: nanoparticles; nanobiomaterials; antimicrobial activity; antimicrobial resistance; photodynamic antimicrobial therapy; innovation; drug delivery; sustainability
(This special issue belongs to the Section Nanochemistry)
Exclusive Papers of Editorial Board Members and Invited Scholars in “Materials Chemistry”, 2nd Edition
edited by
submission deadline 31 Mar 2026 | 4 articles | Viewed by 4786 | Submission Open
Keywords: biomaterials; nanomaterials; hybrid materials; core-shell materials; thin films; self-assembling systems; hydrogels; sensors and biosensors
(This special issue belongs to the Section Materials Chemistry)
Porous Carbons for CO2 Adsorption and Capture
edited by and Jinsong Shi
submission deadline 31 Mar 2026 | 4 articles | Viewed by 4631 | Submission Open
Keywords: porous carbons; carbon nanotubes; graphene oxide; carbon nanomaterials; activated carbons; adsorbents; CO2 adsorption; CO2 capture; physisorption; chemical activation; physical activation; surface functionalization; pore structure design; carbon doping; nitrogen doping; CO2 capture efficiency; CO2 selectivity; direct air capture (DAC); CO2 storage; industrial CO2 capture; carbon capture and utilization (CCU); CO2 adsorption mechanisms; adsorption kinetics; sustainable materials; adsorbent regeneration; machine learning in material design
(This special issue belongs to the Section Materials Chemistry)
Essential Oils: Chemical Composition, Bioactive, and Application
edited by and Nai-Wen Tsao
submission deadline 31 Mar 2026 | 4 articles | Viewed by 4401 | Submission Open
Keywords: essential oils; chemical constituents; biological activities; extraction methods; analytical chemistry; therapeutic effects; antimicrobial activity; drug delivery
(This special issue belongs to the Section Natural Products Chemistry)
Chromatography—The Ultimate Analytical Tool, 3rd Edition submission deadline 31 Mar 2026 | 3 articles | Viewed by 4224 | 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)
Feature Papers in Organic Chemistry—Third Edition submission deadline 31 Mar 2026 | 7 articles | Viewed by 4062 | Submission Open
Keywords: organic synthesis; organic chemistry research; synthesis methods; theoretical study; reaction mechanisms; catalysis
(This special issue belongs to the Section Organic Chemistry)
Application of Analytical Chemistry in Food Science submission deadline 31 Mar 2026 | 3 articles | Viewed by 3812 | Submission Open
Keywords: analytical chemistry; food safety; food authenticity; food contaminants; spectroscopic methods; chromatographic techniques; advanced sample preparation; sustainability in food analysis
(This special issue belongs to the Section Food Chemistry)
Recent Experimental and Theoretical Advances of Corrosion Protection
edited by , Miguel Castro, Guillermo E. Negrón-Silva and
submission deadline 31 Mar 2026 | 2 articles | Viewed by 3601 | Submission Open
Keywords: electrochemical techniques; synthesis of corrosion inhibitors; molecular dynamics; quantum theoretical modelling; coatings
(This special issue belongs to the Section Electrochemistry)
Advanced Chemical Innovations for Sustainable Water and Wastewater Treatment
edited by Mohammed J.K. Bashir
submission deadline 31 Mar 2026 | 2 articles | Viewed by 3317 | Submission Open
Keywords: advanced oxidation processes; catalytic degradation; nanomaterials; green chemistry; pollutant mineralization; ionic liquid applications; smart adsorbents
(This special issue belongs to the Section Applied Chemistry)
30th Anniversary of the MOF Concept
edited by and
submission deadline 31 Mar 2026 | 4 articles | Viewed by 3133 | 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)
Exploring the Applications of Chromatographic Methods in Material Analysis
edited by
submission deadline 31 Mar 2026 | 2 articles | Viewed by 2687 | Submission Open
Keywords: surface energy; adsorption; Lewis’ s acid– base parameters; materials and nanomaterials; biomaterials; drugs; pharmaceuticals; carbon fibers; oxides; metals; polymers; copolymers; composites; crystals; plasticizers; explosives; nanoenergetic materials; technology; thermodynamics
(This special issue belongs to the Section Materials Chemistry)
Bioactive Compounds in Plants: Extraction and Application submission deadline 31 Mar 2026 | 5 articles | Viewed by 2650 | Submission Open
Keywords: bioactive compounds; extraction; biological activities
(This special issue belongs to the Section Natural Products Chemistry)
Nano and Micro Materials in Green Chemistry
edited by Ruijin Yu
submission deadline 31 Mar 2026 | 3 articles | Viewed by 2517 | Submission Open
Keywords: green chemistry; biosynthesis and green synthesis; nanomaterials and micro-materials; biohybrid materials; nanostructured electrodes; chemical sustainability assessment
(This special issue belongs to the Section Materials Chemistry)
Trends of Drug Synthesis in Medicinal Chemistry
edited by
submission deadline 31 Mar 2026 | 3 articles | Viewed by 2508 | Submission Open
Keywords: drug synthesis; anticancer agents; antimicrobial resistance; green chemistry; AI-driven design; targeted delivery systems; continuous-flow technology; structure– activity optimization; multidisciplinary collaboration
(This special issue belongs to the Section Medicinal Chemistry)
Biologically Active Compounds in Functional Foods submission deadline 31 Mar 2026 | 2 articles | Viewed by 2379 | 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)
Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms
edited by and Lívia Bitencourt Pascoal
submission deadline 31 Mar 2026 | 1 articles | Viewed by 2245 | 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)
Graphene and Graphene-Related Materials for Energy and Environment: Synthesis and Application submission deadline 31 Mar 2026 | 1 articles | Viewed by 2155 | Submission Open
Keywords: graphene; graphene-related materials; energy applications; fuel cells; capacitors; photocatalysis; adsorption
(This special issue belongs to the Section Materials Chemistry)
A New Perspective on the Determination and Removal of Pollutants in the Environment, 2nd Edition
edited by
submission deadline 31 Mar 2026 | 1 articles | Viewed by 1980 | Submission Open
Keywords: organic pollutants; toxic metals; wastewater; natural environment; determination methods; phytoremediation; adsorption; microplastic; toxicity; environmental risk
(This special issue belongs to the Section Green Chemistry)
Advances in Trace Element Analysis: Techniques and Applications
edited by
submission deadline 31 Mar 2026 | 3 articles | Viewed by 1861 | 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)
NMR and MRI in Materials Analysis: Opportunities and Challenges
edited by
submission deadline 31 Mar 2026 | 3 articles | Viewed by 1812 | Submission Open
Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magnetic resonance in analysis of pharmaceutical products; contrast agents; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries and other energy storage devices
Current Emerging Trends of Extraction and Encapsulation in Food, 2nd Edition submission deadline 31 Mar 2026 | 2 articles | Viewed by 1641 | 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)
Novel Nanomaterials: Sensing Development and Applications
edited by and
submission deadline 31 Mar 2026 | 1 articles | Viewed by 1636 | Submission Open
Keywords: biosensor; nanomaterials; material design; nanocomposite; sensor; sensor applications
(This special issue belongs to the Section Materials 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 Mar 2026 | 1 articles | Viewed by 1575 | Submission Open
Keywords: marine organisms; bioactive metabolites; marine invertebrates and their associated microorganisms
(This special issue belongs to the Section Natural Products Chemistry)
Photo- and Sonodynamic Antimicrobial and Anticancer Compounds submission deadline 31 Mar 2026 | 2 articles | Viewed by 1390 | Submission Open
Keywords: photosensitizers; sonosensitizers; photodynamic treatment; sonodynamic treatment; antimicrobials; anticancer treatment
(This special issue belongs to the Section Medicinal Chemistry)
Biobased Functional Materials for Sustainable Food Packaging and Preservation submission deadline 31 Mar 2026 | 2 articles | Viewed by 1376 | Submission Open
Keywords: edible films; active packaging; intelligent packaging; edible coatings; sustainable packaging; food quality
(This special issue belongs to the Section Food Chemistry)
Novel Nanomaterials for Pollution Control and Environmental Remediation submission deadline 31 Mar 2026 | 2 articles | Viewed by 1318 | Submission Open
Keywords: functional nanomaterials; environmental pollution; remediation technologies; heavy metals removal; organic pollutants; emerging contaminants; pollution control
(This special issue belongs to the Section Green Chemistry)
Recent Progress in Environmental Analytical Chemistry submission deadline 31 Mar 2026 | 1 articles | Viewed by 1261 | 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)
Small Molecules Targeting Age-Related Diseases
edited by and Marco Lessi
submission deadline 31 Mar 2026 | 1 articles | Viewed by 1025 | Submission Open
Keywords: age-related diseases; small molecules; cardiovascular diseases; neurodegenerative diseases; metabolic disorders
(This special issue belongs to the Section Medicinal Chemistry)
Applications of Bioactive Ingredients in Grape By-products
edited by and Yavor Lukanov Ivanov
submission deadline 31 Mar 2026 | 1 articles | Viewed by 1016 | Submission Open
Keywords: bioactive compounds; grape seeds; skins; and pomace; biological activity; application; medicine; cosmetics; pharmacy; food industry
(This special issue belongs to the Section Food Chemistry)
Photocatalysis for Organic Pollutants Degradation
edited by and
submission deadline 31 Mar 2026 | 1 articles | Viewed by 855 | Submission Open
Keywords: photocatalytic degradation of organic pollutants in waters; design and preparation of photocatalyst; homo- and heterogeneous photo-catalyzed process; intermediate fragments and intermediate organic pollutants; reactive oxygen species (ROS)
(This special issue belongs to the Section Photochemistry)
Design and Synthesis of Organic Materials for OLED Applications
edited by Dalius Gudeika
submission deadline 31 Mar 2026 | 1 articles | Viewed by 843 | Submission Open
Keywords: OLED; TADF; DFT calculations; organic light-emitting transistors (OLETs); optoelectronics; emissive materials; multilayer device architectures
(This special issue belongs to the Section Applied Chemistry)
Stable Isotope Techniques Across Chemistry: Methods, Applications, and Perspectives
edited by
submission deadline 31 Mar 2026 | 1 articles | Viewed by 809 | Submission Open
Keywords: stable isotope analysis; compound specific stable isotopes; authenticity; traceability; biogenic isotopic composition; biogeochemistry; geochemistry; molecular archaeometry; environmental chemistry
(This special issue belongs to the Section Analytical Chemistry)
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