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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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Application of Metal-Organic Framework (MOF) for Environmental Remediation
edited by Osvaldo Antonio Serra and Ayla Serra
submission deadline 5 Sep 2026 | Viewed by 243 | Submission Open
Keywords: metal–organic frameworks (MOFs); environmental remediation; water treatment; pollutant adsorption; heterogeneous catalysis; photocatalysis; MOF-derived materials; advanced porous materials
(This special issue belongs to the Section Applied Chemistry)
Ligand Binding to DNA and RNA, 2nd Edition
edited by Dijana Pavlović Saftić and
submission deadline 10 Sep 2026 | 1 articles | Viewed by 954 | Submission Open
Keywords: DNA/RNA targeting; small-molecule ligands; supramolecular binding; theranostic agents; photodynamic therapy (PDT)
(This special issue belongs to the Section Bioorganic Chemistry)
Recent Advances in Graphene-Based Materials submission deadline 10 Sep 2026 | Viewed by 503 | Submission Open
Keywords: graphene; graphene oxide; reduced graphene oxide; 2D; energy storage; catalysis; optoelectronics
(This special issue belongs to the Section Materials Chemistry)
Application of Spectroscopy and Chemometrics in Food Analysis
edited by
submission deadline 14 Sep 2026 | 1 articles | Viewed by 730 | Submission Open
Keywords: chemometrics; vibrational spectroscopy; FTIR; NIR; Raman; hyperspectral imaging; food authenticity; food integrity; non-destructive analysis; machine learning; multivariate analysis; rapid screening; portable sensors; process monitoring; sustainable food systems
(This special issue belongs to the Section Analytical Chemistry)
Green and Environmentally Friendly Visible-Light- and Transition Metal-Catalyzed Synthesis
edited by
submission deadline 15 Sep 2026 | 2 articles | Viewed by 6618 | 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)
Protein–Ligand Interactions, 2nd Edition submission deadline 15 Sep 2026 | 2 articles | Viewed by 1493 | Submission Open
Keywords: protein–ligand interactions; binding affinity; protein structure and function
(This special issue belongs to the Section Chemical Biology)
Bioactive Compounds in Food Nutrition: From Source to Health Benefits submission deadline 15 Sep 2026 | 1 articles | Viewed by 1319 | Submission Open
Keywords: bioactive compounds; functional foods; extraction and purification; structural elucidation; biological activity; health benefits; nutraceuticals; antioxidants
(This special issue belongs to the Section Food Chemistry)
Quinoline System in Design and Synthesis of New Bioactive Agents
edited by
submission deadline 15 Sep 2026 | 1 articles | Viewed by 935 | Submission Open
Keywords: quinoline derivatives; synthesis; analysis; biological activity; ADMET; SAR; hybrid systems; pharmacophore substituents; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Analysis and Bioactivity of Plant Natural Products
edited by
submission deadline 15 Sep 2026 | Viewed by 334 | Submission Open
Keywords: plant metabolite; plant extract; extraction; isolation; biological activities; chemical analysis
(This special issue belongs to the Section Natural Products Chemistry)
Molecular Insights into Polyoxometalate-Based Functional Materials
edited by Florence Volatron
submission deadline 15 Sep 2026 | Viewed by 286 | Submission Open
Keywords: POM-based materials; nanoobjects; thin films; multidimensional networks; composites; soft matter; nanoscale microscopies; X-ray spectroscopies; X-ray diffraction
(This special issue belongs to the Section Inorganic Chemistry)
Microbial Biotransformation of Organic Residues for Sustainable Production of High-Value Bioactive Compounds submission deadline 15 Sep 2026 | Viewed by 244 | Submission Open
Keywords: organic residues; microbial biotransformation; circular bioeconomy; high-value bioproducts; bioactivity screening
(This special issue belongs to the Section Green Chemistry)
Recent Advances in the Materials for Sodium-Ion Batteries
edited by
submission deadline 15 Sep 2026 | Viewed by 207 | Submission Open
Keywords: sodium-ion battery; cathode Materials; anode materials; electrolyte; multi-scale computational studies; electrode binder; battery recycling
(This special issue belongs to the Section Materials Chemistry)
Innovative Directions in the Development of Functional Food
edited by , and Danuta Kołożyn-Krajewska
submission deadline 15 Sep 2026 | Viewed by 192 | Submission Open
Keywords: food fermentation; functional food; nutritional value of food; probiotics; prebiotics; texture of food; antioxidant activity; chemical composition
(This special issue belongs to the Section Food Chemistry)
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 4th Edition submission deadline 16 Sep 2026 | 4 articles | Viewed by 4037 | Submission Open
Keywords: QSAR and 3D-QSAR; unbiased and biased molecular dynamics; pharmacophore modeling; reverse modeling; ab initio calculations; protein–protein interactions; free energy profiling; modeling of nucleic acids (mRNA, rRNA, tRNA); molecular docking; virtual screening; multitarget approaches; ADMET prediction; similarity analysis; computational approaches applied to natural compounds and nutraceuticals
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Design and Application of Nanomaterials for Photocatalytic Degradation
edited by Aleksandra R. Zarubica and Radomir B. Ljupković
submission deadline 16 Sep 2026 | Viewed by 273 | Submission Open
Keywords: nanomaterials design; nanomaterial photocatalysts; nanomaterials synthesis; photocatalysis; environmental pollution; photodegradation; material characterization
(This special issue belongs to the Section Nanochemistry)
Bioactive Compounds and Small Molecules with Neuroprotective and Anti-Inflammatory Functions
edited by
submission deadline 30 Sep 2026 | 10 articles | Viewed by 37172 | Submission Open
Keywords: bioactive foods; small molecules; neuroprotection; anti-inflammatory; inflammasome; neurodegeneration
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Chromatography for Pharmaceutical Analysis
edited by
submission deadline 30 Sep 2026 | 10 articles | Viewed by 24430 | Submission Open
Keywords: drug analysis of chemical and biological drugs; bioanalysis; natural products analysis; green chemistry; experimental design; artificial intelligence; metabolomics; stationary phase
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in the Toxicology and Safety of Medicinal Plants and Natural Products submission deadline 30 Sep 2026 | 6 articles | Viewed by 13309 | 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)
Featured Reviews in Organometallic Chemistry—Recent Trends and Developments
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 11955 | Submission Open
Keywords: organometallic chemistry; complexes; metals; metal–carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy
(This special issue belongs to the Section Organometallic Chemistry)
Hypervalent Iodine Chemistry: Promise and Prospects
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 10969 | 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)
Feature Papers in Organic Chemistry—Third Edition submission deadline 30 Sep 2026 | 9 articles | Viewed by 10767 | Submission Open
Keywords: organic synthesis; organic chemistry research; synthesis methods; theoretical study; reaction mechanisms; catalysis
(This special issue belongs to the Section Organic Chemistry)
Molecular Docking in Drug Discovery, 2nd Edition
edited by
submission deadline 30 Sep 2026 | 6 articles | Viewed by 10316 | 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)
Metal-Based Drugs: Past, Present and Future, 3rd Edition submission deadline 30 Sep 2026 | 7 articles | Viewed by 10287 | Submission Open
Keywords: metal-based drugs; synthesis; characterization; docking; biological activity; diagnosis; therapeutic tool
(This special issue belongs to the Section Chemical Biology)
Novel Heterocyclic Compounds: Synthesis and Applications
edited by and José Luis Viveros-Ceballos
submission deadline 30 Sep 2026 | 6 articles | Viewed by 8711 | Submission Open
Keywords: heterocyclic compounds; synthetic methodologies; medicinal chemistry; bioactive molecules; pharmaceutical applications; catalysis in heterocycle synthesis; green chemistry approaches; structure–activity relationships (SARs); organic synthesis; agrochemical applications
(This special issue belongs to the Section Organic Chemistry)
Bioactive Compounds from Plants: Identification, Characterization, and Pharmacological Activity submission deadline 30 Sep 2026 | 9 articles | Viewed by 6865 | Submission Open
Keywords: antioxidants; medicinal plants; bioactive compounds; phytochemicals; peptides; chemical characterization; bioavailability; biological activities; functional properties; mechanisms of action; therapeutic potential; pharmacological properties
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Natural Products and Derivatives
edited by Xiaoxiao Huang and
submission deadline 30 Sep 2026 | 6 articles | Viewed by 6360 | Submission Open
Keywords: new natural product discovery; natural product derivatives; bioactivities and mechanisms of action of natural products; application; new methods and technologies
(This special issue belongs to the Section Bioorganic Chemistry)
Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms submission deadline 30 Sep 2026 | 3 articles | Viewed by 6081 | 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)
The Application of LC-MS in Pharmaceutical Analysis—2nd Edition
edited by Wing Lam and
submission deadline 30 Sep 2026 | 6 articles | Viewed by 5618 | Submission Open
Keywords: LC–MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics
(This special issue belongs to the Section Analytical Chemistry)
Research on Changes in Nutritional Components and Structure During Food Processing
edited by , Wei Qin and Natthawuddhi Donlao
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5340 | Submission Open
Keywords: food structure; nutritional components; bioactive compounds; food processing; phytochemicals; health benefits
(This special issue belongs to the Section Food Chemistry)
Lignocellulosic Materials, 2nd Edition
edited by and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5307 | Submission Open
Keywords: biomass valorization; biopolymers; lignocellulose; green chemistry; bio-based materials; environmental remediation
(This special issue belongs to the Section Materials Chemistry)
Recent Experimental and Theoretical Advances of Corrosion Protection
edited by , Miguel Castro, Guillermo E. Negrón-Silva and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5073 | Submission Open
Keywords: electrochemical techniques; synthesis of corrosion inhibitors; molecular dynamics; quantum theoretical modelling; coatings
(This special issue belongs to the Section Electrochemistry)
Natural Compounds in Modern Therapies, 3rd Edition submission deadline 30 Sep 2026 | 6 articles | Viewed by 4724 | Submission Open
Keywords: natural compounds; plant extract; anti-cancer activity; antimicrobial activity; antifungal activity; antiviral activity; anti-inflammatory activity; synergistic effect; chronic disorders; age-related disorders; metabolic syndrome; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Removal of Emerging Pollutants and Its Mechanism
edited by , and Dorin Bombos
submission deadline 30 Sep 2026 | 3 articles | Viewed by 4696 | Submission Open
Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies
(This special issue belongs to the Section Green Chemistry)
Chemical Biology in Europe submission deadline 30 Sep 2026 | 5 articles | Viewed by 4642 | Submission Open
Keywords: chemical probes; bioorthogonal chemistry; chemical proteomics; target identification; probe-based visualization; PTM detection
(This special issue belongs to the Section Chemical Biology)
Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences submission deadline 30 Sep 2026 | 3 articles | Viewed by 4334 | Submission Open
Keywords: nanomaterials; diagnostics; therapy; anticancer; antimicrobial; adsorption; photocatalysis; sensor
(This special issue belongs to the Section Nanochemistry)
Recent Advances in Food Analysis, 2nd Edition submission deadline 30 Sep 2026 | 5 articles | Viewed by 4064 | Submission Open
Keywords: food; contaminants; bioactive compounds; chromatography; detection; analytical techniques; analysis
(This special issue belongs to the Section Analytical Chemistry)
Biobased Functional Materials for Sustainable Food Packaging and Preservation submission deadline 30 Sep 2026 | 4 articles | Viewed by 4059 | Submission Open
Keywords: edible films; active packaging; intelligent packaging; edible coatings; sustainable packaging; food quality
(This special issue belongs to the Section Food Chemistry)
Analytical Technologies and Intelligent Applications in Future Food
edited by , Chunhuan Liu, Shipeng Yin and Xiuhang Chai
submission deadline 30 Sep 2026 | 2 articles | Viewed by 3848 | Submission Open
Keywords: artificial intelligence (AI) in food chemistry; machine learning for food analysis; intelligent sensing systems for food; food quality, safety, and authenticity; non-targeted screening in food; detection of food adulteration and contaminants; big data analytics in food science; smart food processing and quality control
(This special issue belongs to the Section Food Chemistry)
Natural Bioactives for Health: Therapeutic Promise and Safety Considerations submission deadline 30 Sep 2026 | 3 articles | Viewed by 3805 | Submission Open
Keywords: natural bioactive compounds; drug discovery and development; pharmacological activities; toxicological evaluation; analytical and screening methods; human health
Advanced Photocatalysts for Environmental Remediation and Contaminant Removal
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 3663 | Submission Open
Keywords: nonbiodegradable organic contaminants; antibiotic contaminants; dye contaminants; pesticide pollutants; photocatalytic degradation; advanced photocatalysts; oxidic radicals; degradation pathways; degradation mechanism; photophysical property; photochemical property
(This special issue belongs to the Section Applied Chemistry)
Bioengineered Peptides and Proteins as Potential Therapeutic Agents
edited by Rigini M. Papi
submission deadline 30 Sep 2026 | 2 articles | Viewed by 3305 | Submission Open
Keywords: bioengineered peptides & proteins; therapeutic agents; synthetic biology; structure-function prediction; protein engineering; protein scaffolds; drug design; regenerative medicine
(This special issue belongs to the Section Bioorganic Chemistry)
Stable Isotope Techniques Across Chemistry: Methods, Applications, and Perspectives
edited by
submission deadline 30 Sep 2026 | 5 articles | Viewed by 3301 | 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)
Molecular Magnetic Response and Aromaticity
edited by Mesías Orozco-Ic
submission deadline 30 Sep 2026 | 1 articles | Viewed by 3230 | Submission Open
Keywords: aromaticity; magnetic response calculations; magnetic shielding; magnetically induced current densities.
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Deep Eutectic Solvents: Design, Characterization, and Applications submission deadline 30 Sep 2026 | 3 articles | Viewed by 3099 | Submission Open
Keywords: deep eutectic solvents; solubility enhancement; hydrogen bonding interactions; computational chemistry; thermodynamic modeling; gas capture (CO2, SO2, HCl); pharmaceutical solubilization; structure–property relationships
(This special issue belongs to the Section Applied Chemistry)
Novel Nanomaterials for Pollution Control and Environmental Remediation submission deadline 30 Sep 2026 | 2 articles | Viewed by 2911 | 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)
Advanced Vibrational Spectroscopy
edited by Ke Lin
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2661 | Submission Open
Keywords: vibrational spectroscopy; molecular structure; molecular interaction; probe; excess spectroscopy; difference spectroscopy; ratio spectroscopy; multivariate curve resolution; two-dimensional correlation spectroscopy; Raman spectroscopy; infrared spectroscopy
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in Synthesis of Antiviral Compounds
edited by and Francesco Saccoliti
submission deadline 30 Sep 2026 | 2 articles | Viewed by 2499 | Submission Open
Keywords: antiviral; drug design; medicinal chemistry; antiviral small molecules; synthesis; synthetic drugs; antimicrobial
(This special issue belongs to the Section Organic Chemistry)
Sustainable Chemistry with Ionic Liquids and Deep Eutectic Solvents: From Fundamentals to Applications
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 2426 | Submission Open
Keywords: ionic liquids; deep eutectic solvents; green chemistry; sustainable solvents; electrolytes; catalysis; electrochemistry; biomass; extraction
(This special issue belongs to the Section Molecular Liquids)
Featured Review Papers in Applied Chemistry
edited by
submission deadline 30 Sep 2026 | 1 articles | Viewed by 2400 | Submission Open
Keywords: applied chemistry; new molecules and natural materials; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry; theoretical chemistry
Epoxy Resin Synthesis, Performance and Application Research: Second Edition
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 2380 | Submission Open
Keywords: synthesis, modification, and characterization; curing kinetics and mechanism; epoxy-based nanocomposites; interface characteristics; advanced hardeners, modifiers, and accelerators; thermal, mechanical, and dielectric properties; applications; quantum chemical calculations; molecular design
(This special issue belongs to the Section Macromolecular Chemistry)
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