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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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AI-Powered Biomolecular Modeling: Bridging Scales and Accelerating Discovery
edited by , and Hui Wang
submission deadline 31 Dec 2025 | Viewed by 239 | Submission Open
Keywords: artificial intelligence; molecular simulations; machine learning; force field development; enhanced sampling; ab initio calculations
Biodegradable Functional Copolymers, Second Edition
edited by
submission deadline 31 Dec 2025 | Viewed by 235 | Submission Open
Keywords: biodegradable (co)polymers; chemical functionalization; macromolecular synthesis; macromolecular bioconjugates; environmental and biomedical applications; targeted drug delivery; tissue engineering
(This special issue belongs to the Section Macromolecular Chemistry)
The Synthesis and Application of Rare-Earth-Doped Luminescent Materials
edited by and Rui Wang
submission deadline 31 Dec 2025 | Viewed by 234 | Submission Open
Keywords: luminescent materials; molecular design; luminescent mechanisms and processes; display; lighting; detection
(This special issue belongs to the Section Materials Chemistry)
Natural Extracts for Pharmaceutical Applications
edited by
submission deadline 31 Dec 2025 | Viewed by 234 | Submission Open
Keywords: natural compounds; phytochemicals; bioactive compounds; medicinal plants; phytopharmacology; antioxidant activity; anti-inflammatory; antimicrobial; antidiabetic; wound healing
(This special issue belongs to the Section Medicinal Chemistry)
Innovative Nanostructures for Energy and Environmental Applications submission deadline 31 Dec 2025 | Viewed by 233 | Submission Open
Keywords: nanostructures; energy conversion; environmental applications; quantum dots; nanowires; graphene; MXenes; metal nitrides; 2D materials; 3D materials; sustainable energy; pollutant removal; synthesis techniques; adsorbents; water purification; sustainable materials; green energy technologies; advanced nanomaterials; multifunctional materials; hydrogen production; catalysis
(This special issue belongs to the Section Materials Chemistry)
Artificial Intelligence Driving Transformative Advances in Food Science and Technology submission deadline 31 Dec 2025 | Viewed by 230 | Submission Open
Keywords: food sustainability; artificial intelligence; food processes optimization; functional foods; food safety; individualized nutrition
(This special issue belongs to the Section Food Chemistry)
Synthesis, Characterization and Anticancer Activities of Metal Complexes
edited by
submission deadline 31 Dec 2025 | Viewed by 221 | Submission Open
Keywords: in vitro activity; in vivo activity; metal complex; biological studies; anticancer activity; bimetallic complexes; mechanistic studies
(This special issue belongs to the Section Inorganic Chemistry)
Bioactive Compounds in Cosmetic Applications
edited by
submission deadline 31 Dec 2025 | Viewed by 220 | Submission Open
Keywords: bioactive compounds; peptides; herbal extract; biofermentates; upcycling; skin well-being; in vitro tests; efficacy testing
(This special issue belongs to the Section Natural Products Chemistry)
Synthesis and Characterization of Heterocycles with Potential Applications submission deadline 31 Dec 2025 | Viewed by 219 | Submission Open
Keywords: heterocycles; synthesis; design; characterization; green methods; applications
(This special issue belongs to the Section Organic Chemistry)
Bioactive Natural Product Compounds in Cancer Prevention and Therapy submission deadline 31 Dec 2025 | Viewed by 216 | Submission Open
Keywords: natural product; cytotoxic; bioactivity mechanism; cancer; drug discovery; drug delivery; chemoprevention
(This special issue belongs to the Section Natural Products Chemistry)
The Therapeutic Potential of Natural and Synthetic Anti-Inflammatories submission deadline 31 Dec 2025 | Viewed by 205 | 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)
A Theme Issue in Honor of Professor Gary E. Martin's 75th Birthday
edited by R. Thomas Williamson and
submission deadline 31 Dec 2025 | Viewed by 194 | Submission Open
Keywords: NMR; pulse sequences; natural products; pharmaceuticals; anisotropic NMR; CASE; DFT
(This special issue belongs to the Section Bioorganic Chemistry)
10th Anniversary of Organometallic Chemistry Section submission deadline 31 Dec 2025 | Viewed by 190 | 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)
Synthesis, Properties, and Applications of Perovskite Nanocrystals and Their Composites
edited by and Weilin Zheng
submission deadline 31 Dec 2025 | Viewed by 184 | Submission Open
Keywords: perovskite nanocrystals; composite nanomaterials; novel synthetic strategies; photoluminescence properties; stability enhancement mechanisms; perovskite LED; photovoltaics; other optoelectronic devices
(This special issue belongs to the Section Nanochemistry)
Circular Economy: Agri-Food Byproducts as Source of Bioactive Compounds, 2nd Edition submission deadline 31 Dec 2025 | Viewed by 184 | Submission Open
Keywords: agri-food byproducts; plant extracts; food extracts; essential oils; bioactive compounds; nutraceuticals; micromorphology; phytochemistry; health effects; eco-sustainability
(This special issue belongs to the Section Green Chemistry)
Recent Advances in Medicinal Chemistry in Asia
edited by and Jinfei Yang
submission deadline 31 Dec 2025 | Viewed by 181 | Submission Open
Keywords: drug design; drug discovery; lead compounds; anticancer agents; antiviral agents; antidiabetic agents; CNS agents
(This special issue belongs to the Section Medicinal Chemistry)
Antimicrobial Peptide Assemblies
edited by
submission deadline 31 Dec 2025 | Viewed by 180 | Submission Open
Keywords: peptides; peptide hybrids; peptide conjugates; self-assembly; stimuli-responsiveness; antimicrobial activity
(This special issue belongs to the Section Chemical Biology)
Phenotypic Screening for Drug Development and Discovery
edited by Xiang Li
submission deadline 31 Dec 2025 | Viewed by 176 | Submission Open
Keywords: phenotypic screening; drug discovery; target deconvolution; disease models; high-throughput screening; mechanism of action; translational research
(This special issue belongs to the Section Medicinal Chemistry)
Application of Vibrational Spectroscopy Coupled with Chemometric Tools submission deadline 31 Dec 2025 | Viewed by 176 | Submission Open
Keywords: vibrational spectroscopy; chemometrics; quantitative analysis; qualitative analysis; NIR spectroscopy; IR spectroscopy; Raman spectroscopy
(This special issue belongs to the Section Analytical Chemistry)
Synthesis and Application of Chalcogen-Containing Organic Compounds submission deadline 31 Dec 2025 | Viewed by 172 | Submission Open
Keywords: organoselenium compounds; organotellurium compounds; organosulfur compounds; electrophilic chalcogenation; nucleophilic chalcogenation; organochalcogen compounds in material science; elemental chalcogen; C– X bond formation (X = S; Se; Te); pharmacological properties
(This special issue belongs to the Section Organic Chemistry)
Unique Heterocycles for Drug Discoveries
edited by
submission deadline 31 Dec 2025 | Viewed by 172 | Submission Open
Keywords: heterocyclic compound; heterocyclic chemistry; medicinal chemistry; drug discovery; synthetic methodologies; drug design
(This special issue belongs to the Section Organic Chemistry)
Natural Products for Chronic Disease: Mechanisms and Applications
edited by and
submission deadline 31 Dec 2025 | Viewed by 171 | Submission Open
Keywords: natural products; chronic diseases; mechanism; herbal compound; drug delivery system; molecular modification
(This special issue belongs to the Section Natural Products Chemistry)
Applications of Natural Polymers in Biomedicine submission deadline 31 Dec 2025 | Viewed by 171 | Submission Open
Keywords: polymer biomaterials; biopolymers; proteins; polysaccharides; gels; hydrogels; scaffolds; films
(This special issue belongs to the Section Medicinal Chemistry)
Design, Synthesis and Applications of Fluorescent Probes
edited by and
submission deadline 31 Dec 2025 | Viewed by 166 | Submission Open
Keywords: fluorescent probes; bioimaging; design synthesis; molecular imaging; cell biology; disease mechanisms; diagnostic imaging; drug discovery; biocompatibility
(This special issue belongs to the Section Medicinal Chemistry)
Applications of Advanced Functional Materials: Electrocatalysis and Energy submission deadline 31 Dec 2025 | Viewed by 156 | 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)
Transition Metal Complexes in Cancer Therapy: Beyond Platinum
edited by Wai Lun Man
submission deadline 31 Dec 2025 | Viewed by 154 | Submission Open
Keywords: anticancer drugs; transition metal complexes; inorganic chemistry; medicinal chemistry; chemotherapy
(This special issue belongs to the Section Cross-Field Chemistry)
Feature Review Papers in Electrochemistry, 2nd Edition submission deadline 31 Dec 2025 | Viewed by 153 | Submission Open
Keywords: electrochemical science; electrochemical technology; environmental applications; new materials; energy conversion; energy storage; electrocatalysis; combined electrochemical technologies
(This special issue belongs to the Section Electrochemistry)
Advances in Heterogeneous Catalysis for Green Chemistry
edited by Chen Li, and
submission deadline 31 Dec 2025 | Viewed by 150 | Submission Open
Keywords: green chemistry; heterogeneous catalysis; photocatalysis; electrocatalysis; thermal catalysis
(This special issue belongs to the Section Green Chemistry)
Tailored Fluorescent Probes for Selective Recognition of Heavy Metal Species
edited by
submission deadline 31 Dec 2025 | Viewed by 148 | Submission Open
Keywords: fluorescent probes; heavy metal detection; selective recognition; multi-target sensing; environmental monitoring; bioimaging; food safety; sensor design
(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 146 | Submission Open
Keywords: molecular spectroscopy; molecular structure; applications in biological sciences; applications in materials science; molecular interaction; hydrogen bonds; methodological development; quantum chemical calculation
(This special issue belongs to the Section Photochemistry)
Plasma Catalysis Method in Catalytic Process
edited by and Debtanu Maiti
submission deadline 31 Dec 2025 | Viewed by 145 | Submission Open
Keywords: catalysis; energy; plasma; surface interactions; mechanism; atmospheric plasma catalysis; plasma characterization; theory and modeling
(This special issue belongs to the Section Organic Chemistry)
Sustainable Approaches to Nanoparticle Synthesis: Toward a Greener and Safer Future submission deadline 31 Dec 2025 | Viewed by 143 | Submission Open
Keywords: green synthesis of nanoparticles; sustainable nanotechnology; eco-friendly nanomaterials; biogenic nanoparticle synthesis; plant-mediated nanoparticle synthesis; microbial-assisted nanoparticle synthesis; renewable precursors in nanotechnology; low-toxicity nanomaterials; biological activities of green synthesized nanoparticles
(This special issue belongs to the Section Green Chemistry)
Current Development Prospects of Novel Nanocatalysts
edited by Fengyu Gao
submission deadline 31 Dec 2025 | Viewed by 140 | Submission Open
Keywords: novel nanocatalysts; pollutant purification; environmental catalysis technology; precious metals; metal/alloys; metal oxides; non-metallic materials; environmental protection; gas purification; wastewater treatment; soil remediation; solid waste management; carbon neutrality
(This special issue belongs to the Section Green Chemistry)
Exploring the Nanomaterials in Electrochemical Sensor: From Design to Application
edited by Hongbo Li and
submission deadline 31 Dec 2025 | Viewed by 140 | Submission Open
Keywords: nanomaterials; metal– organic frameworks; quantum dots; covalent– organic frameworks; polymers; organic– inorganic nanocomposites; electrochemical sensors
(This special issue belongs to the Section Materials Chemistry)
Advances in Material Chemistry for Sustainable Energy Storage: Innovations, Challenges, and Future Directions
edited by and Peng Liu
submission deadline 31 Dec 2025 | Viewed by 134 | Submission Open
Keywords: phase change thermal energy storage material; energy storage hydrogel materials; materials for photocatalytic hydrogen production; thermochemical heat storage materials; electrochemical energy storage material
(This special issue belongs to the Section Materials Chemistry)
Bioactive Secondary Metabolites in Natural Products submission deadline 31 Dec 2025 | Viewed by 129 | Submission Open
Keywords: bioactive metabolites from mushrooms; medicinal plant metabolites; pro-health secondary metabolites from natural products; antiaging natural sources metabolites; natural dietary supplements
(This special issue belongs to the Section Natural Products Chemistry)
Chromatographic Analysis of Pesticide Residues in Environmental Samples
edited by
submission deadline 31 Dec 2025 | Viewed by 114 | Submission Open
Keywords: chromatography coupled to mass spectrometry; targeted analysis; non-targeted analysis; validation; plants; soils
(This special issue belongs to the Section Analytical Chemistry)
Metal Oxide Nanomaterials: Synthesis, Structures and Optical Properties
edited by
submission deadline 31 Dec 2025 | Viewed by 110 | 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)
Photocatalytic Nanocomposites: Design, Mechanisms and Applications
edited by Ramona-Crina Suciu
submission deadline 31 Dec 2025 | Viewed by 101 | Submission Open
Keywords: photocatalytic; nanocomposites; matrix; reinforcement; nanomaterials
(This special issue belongs to the Section Nanochemistry)
Advanced Delivery Systems for Therapeutic and Agro-Chemical Applications
edited by
submission deadline 31 Dec 2025 | Viewed by 97 | Submission Open
Keywords: micro- and nano-carriers; responsive; toxicology; safety; drug delivery
(This special issue belongs to the Section Applied Chemistry)
Advances in Environmental Remediation and Wind–Sand Stabilization Materials
edited by
submission deadline 31 Dec 2025 | Viewed by 80 | Submission Open
Keywords: soil remediation and improvement; water purification; windbreak and sand fixation; air purification materials; natural eco-materials
(This special issue belongs to the Section Applied Chemistry)
Emerging Technologies for Chemical Recovery of Spent Batteries
edited by Yuan Liang and
submission deadline 31 Dec 2025 | Viewed by 73 | Submission Open
Keywords: spent battery recycling; chemical recycling technologies; critical metal recovery; hydrometallurgy; bioleaching; circular economy
(This special issue belongs to the Section Green Chemistry)
Degradation of Soil Pollutants
edited by
submission deadline 31 Dec 2025 | Viewed by 70 | Submission Open
Keywords: degradation; remediation; analysis; pollutions; soil; new technology
(This special issue belongs to the Section Applied Chemistry)
Advances in Amylases, 2nd Edition
edited by
submission deadline 15 Jan 2026 | Viewed by 431 | 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 220 | 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 | 1 articles | Viewed by 1056 | 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 | 4 articles | Viewed by 6709 | 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 | 1 articles | Viewed by 996 | 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)
Molecular, Technological and Nutritional Aspects of Food Fortification and Processing submission deadline 30 Jan 2026 | 1 articles | Viewed by 1703 | 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 | 1 articles | Viewed by 1599 | Submission Open
Keywords: LC– MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics
(This special issue belongs to the Section Analytical Chemistry)
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