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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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Development of Computational Approaches in Chemical Biology
edited by , Dianyong Tang and Yichang Liu
submission deadline 31 Dec 2025 | Viewed by 40 | Submission Open
Keywords: computational chemical biology; molecular modeling; molecular dynamics simulations; AI in drug discovery; protein– ligand interactions; protein design; biological networks; multi-omics integration
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Synthesis of Nanomaterials and Their Applications in Biomedicine—2nd Edition
edited by
submission deadline 31 Dec 2025 | Viewed by 40 | Submission Open
Keywords: nanomaterials; biomaterials; synthesis; characterization; diagnosis; treatment; cytotoxicity; biocompatibility
(This special issue belongs to the Section Materials Chemistry)
Plant Volatile Organic Compounds: Extraction, Characterization and Biological Activities submission deadline 31 Dec 2025 | Viewed by 40 | Submission Open
Keywords: plant volatile organic compounds; biosynthesis and emission; essential oils; biological activities; green extraction; omics technologies; circular bioeconomy
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Cannabis and Hemp Research—2nd Edition
edited by
submission deadline 31 Dec 2025 | Viewed by 39 | Submission Open
Keywords: Cannabis sativa; hemp; cannabinoids; terpenes; phenolics; secondary metabolites; by-products; biological activity; protein; polysaccharide
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Antibacterial Nanomaterials
edited by
submission deadline 31 Dec 2025 | Viewed by 37 | Submission Open
Keywords: nanoparticles; biochemistry; antibacterial; bacteriostatic; cell membrane
(This special issue belongs to the Section Nanochemistry)
Functional Heterocyclic Compounds with Outstanding Biological Activities submission deadline 31 Dec 2025 | Viewed by 36 | Submission Open
Keywords: pharmaceutical chemistry; bioactive heterocyclic compounds; antitumor extracts; plant extract– synthetic substances associations; biocompatibility; nontoxicity
(This special issue belongs to the Section Medicinal Chemistry)
Applications of Advanced Functional Materials: Electrocatalysis and Energy submission deadline 31 Dec 2025 | Viewed by 35 | Submission Open
Keywords: functional nanomaterials; advanced catalysts; hydrogen evolution reaction (HER); sustainable energy; electrocatalysis; energy conversion
(This special issue belongs to the Section Materials Chemistry)
Recyclable Supramolecular Polymer Materials
edited by
submission deadline 31 Dec 2025 | Viewed by 34 | Submission Open
Keywords: supramolecular polymers; recyclable materials; dynamic covalent chemistry; non-covalent interactions; self-healing materials; sustainable polymers; polymer recycling
(This special issue belongs to the Section Macromolecular Chemistry)
Exploration of Organometallic Materials and Beyond for Sustainable Energy Applications
edited by and
submission deadline 31 Dec 2025 | Viewed by 33 | Submission Open
Keywords: metal complex; metallated polymer; organometallic materials; non-fullerene acceptor; triplet exciton; charge transfer; organic optoelectronic devices; organic photovoltaics; thick-film solar cell
(This special issue belongs to the Section Materials Chemistry)
Phytochemical Wisdom: Traditional Medicinal Plants for Anti-Infective Drug Discovery
edited by
submission deadline 31 Dec 2025 | Viewed by 33 | Submission Open
Keywords: traditional medicinal plants; anti-infective agents; antimicrobial resistance (AMR); medicinal chemistry; phytochemicals; natural product drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
The Therapeutic Potential of Natural and Synthetic Anti-Inflammatories
edited by , and Wendeo Kennedy Costa
submission deadline 31 Dec 2025 | Viewed by 32 | Submission Open
Keywords: anti-inflammatory agents; bioactive compounds; drug discovery; phytochemicals; chronic inflammation; inflammation; medicinal chemistry
(This special issue belongs to the Section Natural Products Chemistry)
Transition Metal Complexes in Cancer Therapy: Beyond Platinum
edited by Wai Lun Man
submission deadline 31 Dec 2025 | Viewed by 32 | Submission Open
Keywords: anticancer drugs; transition metal complexes; inorganic chemistry; medicinal chemistry; chemotherapy
(This special issue belongs to the Section Cross-Field Chemistry)
Photocatalytic Nanocomposites: Design, Mechanisms and Applications
edited by Ramona-Crina Suciu
submission deadline 31 Dec 2025 | Viewed by 31 | Submission Open
Keywords: photocatalytic; nanocomposites; matrix; reinforcement; nanomaterials
(This special issue belongs to the Section Nanochemistry)
Advances in Natural Products and Their Biological Activities—2nd Edition
edited by , , Roseli Barbosa and Francisco Assis Bezerra Da Cunha
submission deadline 31 Dec 2025 | Viewed by 31 | Submission Open
Keywords: phytochemical; natural product; phytotherapy; medicinal plants; biological activity; pharmaceutical formulations; biological activity; pharmacological or toxicology effects
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry Applied to Enhanced Oil Recovery
edited by and Mingwei Gao
submission deadline 31 Dec 2025 | Viewed by 30 | Submission Open
Keywords: advanced chemical materials for EOR; oil– gas field chemical working fluids; molecular engineering of EOR materials; reservoir chemical compatibility; chemical flooding enhancement mechanisms
(This special issue belongs to the Section Applied Chemistry)
Green Analytical Chemistry: From Sample Preparation to Detection submission deadline 31 Dec 2025 | Viewed by 27 | Submission Open
Keywords: green chemistry; green analytical chemistry; green sample preparation; microextraction techniques; pharmaceutical analysis; bioanalysis; metric tools; miniaturization; automated techniques; sustainable analytical workflows
(This special issue belongs to the Section Analytical Chemistry)
Molecular Spectroscopy and Molecular Structure
edited by , and Yukihiro Ozaki
submission deadline 31 Dec 2025 | Viewed by 27 | Submission Open
Keywords: molecular spectroscopy; molecular structure; applications in biological sciences; applications in materials science; molecular interaction; hydrogen bonds; methodological development; quantum chemical calculation
Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health—2nd Edition
edited by and
submission deadline 31 Dec 2025 | Viewed by 25 | Submission Open
Keywords: functional foods; bioactive ingredients; health benefits; immune function; gut health; disease prevention
(This special issue belongs to the Section Food Chemistry)
Plant-Based Bioactives and Sustainable Sources: Unlocking the Potential of Underutilized Resources submission deadline 31 Dec 2025 | Viewed by 23 | Submission Open
Keywords: valorization of agricultural and food processing by-products as sources of bioactives; extraction and purification techniques for plant-derived bioactive compounds; bioactive peptides and polyphenols from underutilized or wild plant species; functional and health-promoting properties of plant-based bioactives; sustainable biorefinery approaches for bioactive recovery; In vitro and in vivo evaluation of bioactivity (e.g.; antioxidant; anti-inflammatory; antimicrobial); applications in functional foods; nutraceuticals; and cosmeceuticals; environmental and economic assessments of sustainable bioactive sourcing
(This special issue belongs to the Section Natural Products Chemistry)
Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition
edited by and Barbara Soldo
submission deadline 31 Dec 2025 | Viewed by 20 | Submission Open
Keywords: plants; extraction; chemical composition; biologically active compounds; antioxidation; antitumor activity; microbiological activity
(This special issue belongs to the Section Natural Products Chemistry)
Natural Products as Antimicrobial and Antiviral Agents: From Extraction to Therapeutic Applications submission deadline 31 Dec 2025 | Viewed by 19 | Submission Open
Keywords: bioactive compounds; specialized metabolites; metabolomics; antiviral activity; antimicrobial activity; infectious diseases
(This special issue belongs to the Section Natural Products Chemistry)
10th Anniversary of Organometallic Chemistry Section submission deadline 31 Dec 2025 | Viewed by 19 | Submission Open
Keywords: transition metal complexes; metal dyes; metal based-drugs; catalysis; metal compounds in therapy; materials science
(This special issue belongs to the Section Organometallic Chemistry)
Metal Oxide Nanomaterials: Synthesis, Structures and Optical Properties
edited by
submission deadline 31 Dec 2025 | Viewed by 18 | Submission Open
Keywords: metal oxide; nanomaterial; synthesis; structure; optical; electric; property; application; catalyst; photodegradation; solar cell; sensor; vector; drug delivery; nanomedicine; green technology; optical communication; metal doping; photocatalysis; band-gap engineering; defect characterization and engineering; biosensor; antibacterial
(This special issue belongs to the Section Nanochemistry)
Nanomaterial-Based Sensors for Food Safety Analysis
edited by and
submission deadline 31 Dec 2025 | Viewed by 17 | Submission Open
Keywords: nanomaterial-based sensors; electrochemical/optical sensors; pathogen/toxin/pesticide/heavy metal ion detection; point-of-care testing; on-site; all-in-one; sensitivity enhancement
(This special issue belongs to the Section Nanochemistry)
Applications of Natural Polymers in Biomedicine submission deadline 31 Dec 2025 | Viewed by 10 | Submission Open
Keywords: polymer biomaterials; biopolymers; proteins; polysaccharides; gels; hydrogels; scaffolds; films
Immunomodulatory and Anti-Inflammatory Activities of Natural Compounds with Adaptogenic Potential
edited by Daniel Załuski and Jakub Gębalski
submission deadline 31 Dec 2025 | Viewed by 9 | Submission Open
Keywords: adaptogens; immunomodulation; inflammation; phytochemicals; herbal medicine; cytokines; oxidative stress
(This special issue belongs to the Section Medicinal Chemistry)
Recent Research on Photocatalysis for Energy Storage and Conversion submission deadline 31 Dec 2025 | Submission Open
Keywords: photocatalyst; photo/electrocatalyst; energy storage and conversion; photogenerated carrier; carbon neutrality; semiconductors
(This special issue belongs to the Section Photochemistry)
Next-Generation Deep Eutectic Solvents for Sustainable Synthesis and Electrochemical Application
edited by
submission deadline 1 Jan 2026 | Viewed by 27 | Submission Open
Keywords: deep eutectic solvents; electrosynthesis; energy storage/conversion; chemical synthesis; wearable electronic devices; computation methods
(This special issue belongs to the Section Green Chemistry)
Advances in Amylases, 2nd Edition
edited by
submission deadline 15 Jan 2026 | Viewed by 97 | Submission Open
Keywords: enzyme; alpha-amylase enzyme; starch and glycogen; gut microbiome oriented study
(This special issue belongs to the Section Bioorganic Chemistry)
Review Papers in Materials Chemistry—2nd Edition submission deadline 15 Jan 2026 | Viewed by 23 | Submission Open
Keywords: materials chemistry; organic and inorganic materials; biomaterials; nanomaterials; hybrid materials; core-shell materials; thin films; self-assembling systems; tailored and unusual properties of materials
(This special issue belongs to the Section Materials Chemistry)
Transition Metal Complexes with Bioactive Ligands
edited by
submission deadline 16 Jan 2026 | Viewed by 98 | Submission Open
Keywords: transition metal complexes; DFT; QTAIM; biological activity; bioactive ligands; crystal structures
(This special issue belongs to the Section Organometallic Chemistry)
Isolation, Analysis, and Biological Activities of Secondary Metabolites Derived from Plants
edited by , Mindaugas Liaudanskas and
submission deadline 20 Jan 2026 | 2 articles | Viewed by 1307 | Submission Open
Keywords: isolation; analysis; phytochemical composition; biological activity
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Polymer Composites for Sustainable Technologies: Synthesis, Characterization, and Performance
edited by Fujuan Liu
submission deadline 20 Jan 2026 | Viewed by 23 | Submission Open
Keywords: sustainable polymer composites; thermal insulation materials; fiber-reinforced composites; renewable energy applications; biodegradable composites; flexible electronics; light-emitting materials; Janus membrane design; nanomaterials; biomimetic design
(This special issue belongs to the Section Macromolecular Chemistry)
State of the Art of Natural Antioxidants: Extraction, Detection and Biofunctions—2nd Edition submission deadline 30 Jan 2026 | Viewed by 90 | Submission Open
Keywords: antioxidant; phytochemistry; bioactive molecules; biotechnology; biomolecules; analytical chemistry; food chemistry; phytomedicine
(This special issue belongs to the Section Natural Products Chemistry)
Phosphorus-Based Compounds in Medicinal Chemistry
edited by
submission deadline 30 Jan 2026 | Viewed by 89 | Submission Open
Keywords: phosphorus-containing drugs; prodrugs; phosphonates; phosphinates; bioisosteres; enzyme inhibitors; drug design; drug discovery
(This special issue belongs to the Section Medicinal Chemistry)
Phytochemicals as Promising Molecules in Acute and Chronic Neurodegeneration
edited by
submission deadline 30 Jan 2026 | Viewed by 59 | Submission Open
Keywords: phytochemicals; nutrients; morphology; transmission electron microscopy; autophagy; proteasome; neurodegeneration; central nervous system; peripheral nervous system; sensory organs
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Nanoscale Drug Delivery Technologies and Theranostics
edited by and Valérie Maraval
submission deadline 30 Jan 2026 | Viewed by 33 | Submission Open
Keywords: drug delivery; theranostics; nanoparticles; dendrimers; nanovesicle; nanomicelles; polymers; nanomaterials
(This special issue belongs to the Section Nanochemistry)
Molecular, Technological and Nutritional Aspects of Food Fortification and Processing submission deadline 30 Jan 2026 | Viewed by 29 | Submission Open
Keywords: food fortification and processing; molecular; technological; and nutritional aspects; food composition; functionality; nutritional quality
(This special issue belongs to the Section Food Chemistry)
The Application of LC-MS in Pharmaceutical Analysis—2nd Edition
edited by Wing Lam and
submission deadline 30 Jan 2026 | Viewed by 24 | Submission Open
Keywords: LC– MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics
(This special issue belongs to the Section Analytical Chemistry)
Advanced Functional Quantum Dots: Design, Properties and Application submission deadline 30 Jan 2026 | Viewed by 14 | Submission Open
Keywords: quantum dots; functionalization; quantum modelling; novel materials; nanomaterials
(This special issue belongs to the Section Nanochemistry)
Design and Mechanisms of Photo(electro)catalysts for Water Splitting
edited by Zhaohui Zhou, Jiafeng Geng and
submission deadline 31 Jan 2026 | 3 articles | Viewed by 7699 | Submission Open
Keywords: photocatalysis; electrocatalysis; photoelectrocatalysis; photo(electro)catalysts synthesis; water splitting; hydrogen production; renewable fuels
(This special issue belongs to the Section Applied Chemistry)
Organosulfur and Organoselenium Chemistry II
edited by Ming Wang
submission deadline 31 Jan 2026 | 3 articles | Viewed by 6409 | Submission Open
Keywords: organosulfur; organoselenium; synthesis; transformation; application
(This special issue belongs to the Section Organic Chemistry)
Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations
edited by
submission deadline 31 Jan 2026 | 3 articles | Viewed by 3947 | Submission Open
Keywords: bioactive compounds; drug quality control; new pharmaceutical formulations; advanced analytical techniques; falsified medicines; methodologies
(This special issue belongs to the Section Analytical Chemistry)
Molecular Spectroscopy and Molecular Structure in Europe
edited by
submission deadline 31 Jan 2026 | 3 articles | Viewed by 3751 | Submission Open
Keywords: high-resolution molecular spectra; high-resolution experimental techniques; theory of molecular spectra; theory of molecular structure; effective Hamiltonians; quantum chemistry calculations; atmospheric applications; astrophysical applications
(This special issue belongs to the Section Cross-Field Chemistry)
Antibacterial Agents: Present and Future submission deadline 31 Jan 2026 | 1 articles | Viewed by 1213 | Submission Open
Keywords: antibacterial resistance; antibacterials; bacteria; bioactive compounds; drug repositioning; drug repurposing; hybrid antibacterials; Infectious diseases; metal complexes; nanoparticles
(This special issue belongs to the Section Chemical Biology)
Advances in Oxide-Based Materials for (Photo)Catalysis submission deadline 31 Jan 2026 | 1 articles | Viewed by 979 | Submission Open
Keywords: oxide-based materials; catalytic materials; synthesis methods; characterization techniques; photocatalysis; heterostructures; sustainable photocatalysis
(This special issue belongs to the Section Photochemistry)
Advances in the Preparation and Application of Cellulose
edited by and Chengliang Duan
submission deadline 31 Jan 2026 | 1 articles | Viewed by 553 | Submission Open
Keywords: cellulose; chemical modification; nanofibers; physical modification; biological modification; preparation; application; composite materials
(This special issue belongs to the Section Materials Chemistry)
Influence of Solvent Molecules in Coordination Chemistry
edited by Ingmar Persson
submission deadline 31 Jan 2026 | 1 articles | Viewed by 545 | Submission Open
Keywords: hydration; solvation; coordination chemistry; chemical property; solid state; aqueous solution; non-aqueous solvents; space demanding at coordination
(This special issue belongs to the Section Inorganic Chemistry)
Synthesis and Derivatization of Heterocyclic Compounds
edited by Philipp Natho and
submission deadline 31 Jan 2026 | 1 articles | Viewed by 419 | Submission Open
Keywords: heterocyclic compounds; spirocyclic compounds; enabling technology; synthetic methodologies; strained heterocycles; medicinal chemistry; fused compounds
(This special issue belongs to the Section Organic Chemistry)
Recent Advances in Synthesis of Antiviral Compounds
edited by and Francesco Saccoliti
submission deadline 31 Jan 2026 | Viewed by 371 | Submission Open
Keywords: antiviral; drug design; medicinal chemistry; antiviral small molecules; synthesis; synthetic drugs; antimicrobial
(This special issue belongs to the Section Organic Chemistry)
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