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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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Natural Products: Isolation, Analysis and Biological Activity, 2nd Edition
edited by Hazem Salaheldin Elshafie and
submission deadline 28 Feb 2026 | 4 articles | Viewed by 32260 | 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)
Electroanalysis of Biochemistry and Material Chemistry—2nd Edition
edited by Guangjin Wang
submission deadline 28 Feb 2026 | 9 articles | Viewed by 14489 | Submission Open
Keywords: voltammetry; potentiometry; conductometry; electrolytic method; electrochemical bio-sensors; fuel cells; batteries; supercapacitors
(This special issue belongs to the Section Electrochemistry)
Potential of Natural Products as Drug Leads Possessing Antioxidant, Antiaging and Anticancer Properties submission deadline 28 Feb 2026 | 5 articles | Viewed by 12632 | 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)
Molecular Modeling: Advancements and Applications, 3rd Edition
edited by
submission deadline 28 Feb 2026 | 7 articles | Viewed by 10460 | Submission Open
Keywords: quantum mechanics; molecular mechanics (MM); molecular dynamics (MD); semi-empirical calculations; Ab initio methods; post-Hartree– Fock methods; density functional theory (DFT); software development; achieving chemical accuracy; thermochemistry and reactivity; interaction energy; covalent bonding and non-covalent interactions; large molecular systems; IR; Raman; and NMR; drug design; nanomaterials and nanotechnology; material sciences
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Natural Products in Anticancer Activity: 2nd Edition submission deadline 28 Feb 2026 | 5 articles | Viewed by 9099 | Submission Open
Keywords: natural products; anticancer; drug; nature; molecule
(This special issue belongs to the Section Natural Products Chemistry)
Pharmacological Effects of Natural Products: Antioxidant, Anti-Inflammatory and Anticancer Activities
edited by and Ramón Enrique Robles Zepeda
submission deadline 28 Feb 2026 | 4 articles | Viewed by 8865 | Submission Open
Keywords: natural products; plant extracts; phytochemical inflammatory diseases; oxidative stress; cancer; biological activity; drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
Antioxidant, and Anti-Inflammatory Activities of Natural Plants
edited by Zofia Niziol-Lukaszewska and Aleksandra Ziemlewska
submission deadline 28 Feb 2026 | 4 articles | Viewed by 8508 | Submission Open
Keywords: antioxidant activities; anti-inflammatory activities; extraction methods; isolation of active compounds; biological activity; cosmetic application; plant extracts; natural compounds
(This special issue belongs to the Section Natural Products Chemistry)
Exclusive Feature Papers in Analytical Chemistry submission deadline 28 Feb 2026 | 7 articles | Viewed by 7235 | Submission Open
Keywords: analytical chemistry; instrumentation; environment and food; pharmaceutical industry; green chemistry
(This special issue belongs to the Section Analytical Chemistry)
Chemiluminescence and Photoluminescence of Advanced Compounds submission deadline 28 Feb 2026 | 5 articles | Viewed by 7003 | Submission Open
Keywords: chemiluminescence; photoluminescence; luminescent molecules; luminescent probes; luminescent indicators; bioimaging; immunoassay; sensing; luminescence mechanism
(This special issue belongs to the Section Photochemistry)
Research Progress of Fluorescent Probes
edited by
submission deadline 28 Feb 2026 | 3 articles | Viewed by 6462 | Submission Open
Keywords: one-photon fluorescent probes; two-photon fluorescent probes; multi-photon fluorescent probes; upconverting fluorescent probes; AIE fluorescent probes
(This special issue belongs to the Section Photochemistry)
Natural Compounds for Disease and Health, 3rd Edition submission deadline 28 Feb 2026 | 6 articles | Viewed by 5929 | Submission Open
Keywords: natural products; phytochemistry; structure– activity relationship; mechanisms of action; anti-aging; cancer; cardiovascular diseases; digestive diseases; endocrine disorders; immune diseases; infections; inflammation; liver diseases; metabolic diseases; musculoskeletal diseases; neurodegenerative diseases; pain; psychiatric diseases; renal diseases; respiratory diseases
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Design and Synthesis of Antimicrobial Drugs
edited by Ma Su and
submission deadline 28 Feb 2026 | 5 articles | Viewed by 5911 | 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)
Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application submission deadline 28 Feb 2026 | 6 articles | Viewed by 5518 | Submission Open
Keywords: natural and semisynthetic products; extraction; isolation; and purification; identification and structural elucidation; biological properties; multidisciplinary applications
(This special issue belongs to the Section Natural Products Chemistry)
Functional Porous Frameworks: Synthesis, Properties, and Applications
edited by
submission deadline 28 Feb 2026 | 4 articles | Viewed by 4859 | Submission Open
Keywords: metal– organic frameworks; covalent organic frameworks; mesoporous silica; periodic mesoporous organosilicas; catalysis; biomedical applications; energy storage; environmental remediation
(This special issue belongs to the Section Materials Chemistry)
Advanced Materials for Environmental Remediation: Design and Applications
edited by Meijuan Chen and Yuru Wang
submission deadline 28 Feb 2026 | 3 articles | Viewed by 4627 | Submission Open
Keywords: advanced materials; environmental remediation; nanomaterials; biomaterials; porous materials; composites; water purification; air purification; soil remediation
(This special issue belongs to the Section Materials Chemistry)
Chemical Biology of Antimicrobial Resistance, 2nd Edition
edited by
submission deadline 28 Feb 2026 | 2 articles | Viewed by 4515 | Submission Open
Keywords: antimicrobial resistance; resistance mechanism; antibiotics; diagnostics; new mode of action; antibiotic target; structure– activity relationship; molecular probe
(This special issue belongs to the Section Cross-Field Chemistry)
New Horizons in Deep Eutectic Solvents (DESs): Synthesis, Characterization and Applications submission deadline 28 Feb 2026 | 4 articles | Viewed by 4336 | Submission Open
Keywords: deep eutectic solvent; methods of synthesis; physicochemical and thermal properties; extraction and separation; catalysis; pharmaceuticals; energy storage
(This special issue belongs to the Section Molecular Liquids)
Polymeric Liquid Crystals and Applications, 2nd Edition submission deadline 28 Feb 2026 | 3 articles | Viewed by 4189 | Submission Open
Keywords: phases; structures and ordering; self-assembly; colloids; instabilities; pattern formation and chaos; fibers; biological and bio-inspired liquid crystals; polymer-liquid crystal blends; conductive liquid crystals; switchable polymers; nanostructured systems; supramolecules; polymers; elastomers and gels; photosensitive liquid crystals; confined liquid crystals; molecular design; synthesis and new materials; sensors; actuators; O-LED and polymer LCD devices; conducting polymer liquid crystals; biopolymer liquid crystals; drug delivery; mathematical modelling; novel applications of liquid crystalline systems
(This special issue belongs to the Section Applied Chemistry)
Design, Synthesis and Biological Evaluation of Novel Small Molecules Inhibitors, 2nd Edition
edited by
submission deadline 28 Feb 2026 | 3 articles | Viewed by 4108 | 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)
Bioactive Compounds in Foods and Their By-Products
edited by
submission deadline 28 Feb 2026 | 3 articles | Viewed by 4103 | Submission Open
Keywords: circular economy; food analytical method; food analytical method validation; bioactives bioavailability; suitable agronomic technique; food toxicology
(This special issue belongs to the Section Food Chemistry)
Metallic Nanoclusters and Their Interaction with Light submission deadline 28 Feb 2026 | 3 articles | Viewed by 3927 | Submission Open
Keywords: nanoclusters; photophysics; photocatalysis; imaging; phototherapy
(This special issue belongs to the Section Applied Chemistry)
Nutritional Components of Non-Animal Origin Foods: Structure, Synthesis, Functions and Mechanisms
edited by , Zhengyi Wei and Tiehua Zhang
submission deadline 28 Feb 2026 | 3 articles | Viewed by 3113 | Submission Open
Keywords: non-animal origin foods; nutritional components; bioactive compounds; human diseases; health benefits; epidemiological and clinical studies; action mechanism
(This special issue belongs to the Section Food Chemistry)
Metal-Based Drugs: Past, Present and Future, 3rd Edition submission deadline 28 Feb 2026 | 4 articles | Viewed by 3113 | Submission Open
Keywords: metal-based drugs; synthesis; characterization; docking; biological activity; diagnosis; therapeutic tool
(This special issue belongs to the Section Chemical Biology)
Synthesis and Crystal Structure Studies of Metal Complexes
edited by Anna Świtlicka
submission deadline 28 Feb 2026 | 3 articles | Viewed by 3039 | 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)
Lignocellulosic Materials, 2nd Edition
edited by and
submission deadline 28 Feb 2026 | 1 articles | Viewed by 3003 | Submission Open
Keywords: biomass valorization; biopolymers; lignocellulose; green chemistry; bio-based materials; environmental remediation
(This special issue belongs to the Section Materials Chemistry)
Antioxidant, Anti-Inflammatory Activities and Skin Protective Potential of Extractions from Natural Plants
edited by Gerardo Magela Vieira-Júnior and
submission deadline 28 Feb 2026 | 3 articles | Viewed by 2662 | Submission Open
Keywords: antioxidants; anti-inflammatory; skin protection; phenolic compounds; extracts derived from plants; natural products
(This special issue belongs to the Section Natural Products Chemistry)
Sustainable Chemical Approaches for Wastewater Treatment and Resource Utilization
edited by Jingtao Bi and
submission deadline 28 Feb 2026 | 3 articles | Viewed by 2641 | Submission Open
Keywords: wastewater treatment; functional materials; green chemical processes; redox; adsorption; catalysis; membrane separation
(This special issue belongs to the Section Applied Chemistry)
Advances in Metal/Oxide Interfacial Catalysts: Design, Properties, and Applications
edited by Mausumi Mahapatra
submission deadline 28 Feb 2026 | 3 articles | Viewed by 2416 | Submission Open
Keywords: oxides; metal– oxide interface; catalysts; active sites; heterogeneous catalysis
(This special issue belongs to the Section Physical Chemistry)
Molecular Insights into Bioluminescence and Chemiluminescence
edited by
submission deadline 28 Feb 2026 | 2 articles | Viewed by 2371 | Submission Open
Keywords: bioluminescence; chemiluminescence; chemical mechanism; luminescence; photophysics; photochemical processes; bioluminescent enzymes; luminescent sensing and imaging
(This special issue belongs to the Section Photochemistry)
Applied Innovative Insights in Selective Organic Hetero-Synthesis submission deadline 28 Feb 2026 | 2 articles | Viewed by 2233 | Submission Open
Keywords: hetarenes; hetero-alycycles; regioisomerism; diastereomerism; enantiomerism; biomimetics and new chemical entities (NCEs); “ intelligent” molecules
(This special issue belongs to the Section Organic Chemistry)
Advanced Nanomaterials for Fluorescence Imaging and Phototherapy
edited by Zhourui Xu and
submission deadline 28 Feb 2026 | 1 articles | Viewed by 2026 | Submission Open
Keywords: phototheranostics; fluorescence imaging; photothermal therapy; photodynamic therapy; NIR-II region; nanoformulation
(This special issue belongs to the Section Photochemistry)
Advanced Electrode Materials for Electrochemical Energy Storage and Conversion, 3rd Edition
edited by , , and Juzhe Liu
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1986 | 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)
Chemistry and Applications of Compounds Containing Quinoline or Isoquinoline Structure submission deadline 28 Feb 2026 | 1 articles | Viewed by 1536 | Submission Open
Keywords: quinoline; isoquinoline; synthesis; molecular structure; alkaloids; fluorescence; green chemistry; crystal structure; structure– activity relationship; antitumor agents
(This special issue belongs to the Section Organic Chemistry)
Density Functional Theory: From Fundamentals to Applications
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1516 | Submission Open
Keywords: DFT; theoretical and computational chemistry; new functional materials; surface modification; structural optimization; electronic proprieties; chemical bond; structure; and reactivity; gas sensing; adsorption and desorption; nanomaterials and nanotechnology
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Molecular Magnetic Response and Aromaticity
edited by Mesías Orozco-Ic
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1502 | Submission Open
Keywords: aromaticity; magnetic response calculations; magnetic shielding; magnetically induced current densities.
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Analytical Technologies and Intelligent Applications in Future Food
edited by , Chunhuan Liu, Shipeng Yin and Xiuhang Chai
submission deadline 28 Feb 2026 | 2 articles | Viewed by 1497 | 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 Bioactive Compounds: Therapeutic Potential in the Management of Chronic Diseases submission deadline 28 Feb 2026 | 1 articles | Viewed by 1449 | Submission Open
Keywords: natural bioactives; phytochemicals; polyphenols; isoprenoids; alkaloids; bioactive lipids and peptides; prebiotics; postbiotics; chronic diseases; non-communicable diseases
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Metallocene Chemistry
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1314 | Submission Open
Keywords: metallocene; macromolecular chemistry; bio-organometallic chemistry; catalysis
(This special issue belongs to the Section Organometallic Chemistry)
Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences submission deadline 28 Feb 2026 | 2 articles | Viewed by 1219 | Submission Open
Keywords: nanomaterials; diagnostics; therapy; anticancer; antimicrobial; adsorption; photocatalysis; sensor
(This special issue belongs to the Section Nanochemistry)
Innovative Chemical Technologies for Rare Earth Element Processing
edited by Yuefei Zhang and Fang Zhou
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1196 | Submission Open
Keywords: rare-earth; weathered crust elution-deposited rare-earth ores; leaching; compound leaching agents; intermolecular interaction
Novel Organic-Inorganic Hybrid Porous Photochromic Materials
edited by Junbiao Wu
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1111 | Submission Open
Keywords: photochromism; porous materials; open-frameworks; inorganic– organic hybrid; electron transfer; light sensors; inkless printing; anticounterfeiting
(This special issue belongs to the Section Inorganic Chemistry)
Synthesis and Spectroscopic Characterization of Organometallic Compounds
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1076 | Submission Open
Keywords: catalytic activity; synthesis and reactivity; spectroscopy; reaction mechanism; structural and spectroscopic characterization; turnover number (abbreviated TON); electrochemistry
(This special issue belongs to the Section Organic Chemistry)
Natural Product-Inspired Drug Discovery: From Molecular Design to Safety and Translational Pharmacology
edited by and Hassan Y. Ebrahim
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1035 | Submission Open
Keywords: metabolism; molecular design; molecular mechanistic pathways; natural products; PKs/PDs; RNA/DNA Sequencing; toxicity/safety
(This special issue belongs to the Section Medicinal Chemistry)
Application of Natural Products in the Treatment of Neurodegenerative Diseases
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 1000 | Submission Open
Keywords: natural products; neurovascular and neurodegenerative diseases; neuroprotection; bioactive compounds; drug discovery; molecular mechanisms; multi-target therapy; neuroinflammation
(This special issue belongs to the Section Natural Products Chemistry)
Advances in Functional Foods, 2nd Edition submission deadline 28 Feb 2026 | 1 articles | Viewed by 992 | Submission Open
Keywords: functional food ingredients; delivery of bioactives; bioavailability of bioactives; technological aspects; health benefits; personalized nutrition; health claims
(This special issue belongs to the Section Food Chemistry)
Emerging Drug Targets: New Challenges for the Medicinal Chemist
edited by
submission deadline 28 Feb 2026 | 1 articles | Viewed by 953 | Submission Open
Keywords: drug repurposing; drug repositioning; drug design; target validation; molecular modeling; interaction studies; organic synthesis; artificial intelligence
(This special issue belongs to the Section Medicinal Chemistry)
Functional Materials: Synthesis Strategies and Environmental Applications
edited by and
submission deadline 28 Feb 2026 | 1 articles | Viewed by 948 | Submission Open
Keywords: environmental remediation; pollutant removal; materials chemistry; catalytic materials; environmental chemistry
(This special issue belongs to the Section Materials Chemistry)
Advanced Removal of Emerging Pollutants and Its Mechanism
edited by , and Dorin Bombos
submission deadline 28 Feb 2026 | 1 articles | Viewed by 883 | Submission Open
Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies
(This special issue belongs to the Section Green Chemistry)
Research on Changes in Nutritional Components and Structure During Food Processing
edited by , Wei Qin and Natthawuddhi Donlao
submission deadline 28 Feb 2026 | 1 articles | Viewed by 872 | Submission Open
Keywords: food structure; nutritional components; bioactive compounds; food processing; phytochemicals; health benefits
(This special issue belongs to the Section Food Chemistry)
Porous Materials for Environmental Pollutant Adsorption and Degradation
edited by and Orsina Verdeş
submission deadline 28 Feb 2026 | Viewed by 805 | Submission Open
Keywords: microporous and mesoporous materials; adsorbents; environmental applications; physical and chemical characterizations of materials; carbon capture and utilization (CCU); CO2 adsorption mechanisms; adsorbent regeneration; heterogeneous catalytic reactions
(This special issue belongs to the Section Materials Chemistry)
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