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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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Emerging Multifunctional Materials for Next-Generation Energy Systems

edited by

Zhao Ding

and Shicong Yang

submission deadline 30 Oct 2025 | 4 articles | Viewed by 5467 | Submission Open

Keywords: multifunctional material; self-healing material; smart materials; hybrid material; solar-grade silicon purification; energy conversion and storage

(This special issue belongs to the Section Materials Chemistry)

Advancements in Desulfurization Catalysts: Enhancing Efficiency Through Nanostructured Materials

edited by Wei Jiang,

Jixing Liu

and Suhang Xun

submission deadline 30 Oct 2025 | Viewed by 308 | Submission Open

Keywords: oxidative desulfurization; hydrodesulfurization; adsorption desulfurization; nanostructure; heterogeneous catalysis; homogeneous catalysis

(This special issue belongs to the Section Materials Chemistry)

The Role of Transition Metal Compounds in Energy Conversion

edited by

Xin Liu

Tao Hu

and

Huimin Guo

submission deadline 30 Oct 2025 | Viewed by 188 | Submission Open

Keywords: carrier density; electrode materials; energy conversion and storage; layered transition metal dichalcogenides; porous materials; MXene; fuel cells; batteries; supercapacitors; hydrogen production; energy storage and distribution; CO2 reduction

(This special issue belongs to the Section Electrochemistry)

Antioxidant Discovery: Computational Modeling, Molecular Mechanisms and Therapeutic Applications

edited by

Adriana Perez-Gonzalez

submission deadline 30 Oct 2025 | Viewed by 186 | Submission Open

Keywords: antioxidants; computational design; neuroprotection; therapeutic applications; thermochemistry and kinetics; theoretical study

(This special issue belongs to the Section Medicinal Chemistry)

Doping Strategies for Carbon-Based Electrocatalysts

edited by

Paweł Szroeder

submission deadline 30 Oct 2025 | Viewed by 159 | Submission Open

Keywords: carbons; p-doping; n-doping; Fermi level engineering; electrocatalysis; electrochemical sensors; energy conversion and storage; environmental remediation

(This special issue belongs to the Section Electrochemistry)

Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition

edited by

Alessandra Morana

and

Giuseppe Squillaci

submission deadline 31 Oct 2025 | 17 articles | Viewed by 50601 | Submission Open

Keywords: sustainable extraction; waste valorization; medicinal plants; antioxidant; naturally derived active ingredients; bioactive compounds from microorganisms; antimicrobials; anticancer

(This special issue belongs to the Section Natural Products Chemistry)

Flavonoids’ and Other Polyphenols’ Pharmacological Activities for Phytopharmaceutical and Medicinal Applications, 2nd Edition

edited by

Duangjai Tungmunnithum

Yohei Sasaki

and

Aekkhaluck Intharuksa

submission deadline 31 Oct 2025 | 7 articles | Viewed by 29902 | Submission Open

Keywords: natural plant products; flavonoids; polyphenols; medicinal plants; traditional medicines; biological activity; pharmacological activity; phytopharmaceutical and medicinal applications

(This special issue belongs to the Section Natural Products Chemistry)

Novel Biochemical Processes for Treatment and Valorization of Wastes and Biomass

edited by

Georgia Antonopoulou

submission deadline 31 Oct 2025 | 11 articles | Viewed by 27705 | Submission Open

Keywords: waste/biomass; valorization; biochemical processing; feedstocks; biocatalysts; life cycle analysis; biochemical approach

(This special issue belongs to the Section Green Chemistry)

Exclusive Papers Collection of Editorial Board Members and Invited Scholars on Food Chemistry

edited by

Ana Belén Martín Diana

and

Daniel Rico

submission deadline 31 Oct 2025 | 8 articles | Viewed by 18186 | Submission Open

Keywords: functional food; ingredients; bioactivity; antioxidants; food and health; food processing

(This special issue belongs to the Section Food Chemistry)

2D Nanomaterials and Composites for Energy and Environmental Sustainability—2nd Edition

edited by

Luis Alfredo Rodríguez

and

Edgar Mosquera-Vargas

submission deadline 31 Oct 2025 | 8 articles | Viewed by 17171 | Submission Open

Keywords: film processes; flexible substrates; carbon capture and conversion; nano-electronics and devices; ink-jet printing; nanostructured permanent magnets; carbon-based nanomaterials; membrane separation; solar cells; photonic materials; OLED; polymer-based nanocomposites; gas capture; H2 storage and conversion

(This special issue belongs to the Section Nanochemistry)

Microbial Natural Products: A Promising Source for Medical Application (2nd Edition)

edited by

Anna Malm

and

Izabela Korona-Głowniak

submission deadline 31 Oct 2025 | 5 articles | Viewed by 17123 | Submission Open

Keywords: microorganisms; primary and secondary metabolites; antimicrobial and anticancer agents; neuroprotective agents; gut microbiota compounds; food supplements; functional food; medicines

(This special issue belongs to the Section Natural Products Chemistry)

Recent Advances in Exploiting Ionic Liquids for Biocatalytic and Pharmaceutical Application

edited by

Amal A.M. Elgharbawy

and

Muhammad Moniruzzaman

submission deadline 31 Oct 2025 | 6 articles | Viewed by 16891 | Submission Open

Keywords: ionic liquids; nanomaterials; emulsions; biological activity; biocatalysis; active pharmaceutical ingredients; drug delivery; mechanism of action; toxicity; pharmaceuticals; enzymes

(This special issue belongs to the Section Molecular Liquids)

Advances in Biomass Chemicals: Transformation and Valorization

edited by Marlene Lopes

submission deadline 31 Oct 2025 | 8 articles | Viewed by 14045 | Submission Open

Keywords: lignocellulosic biomass; agro-industrial by-products; biofuels; biochemicals; biorefinery; pretreatments; hydrolysis

(This special issue belongs to the Section Green Chemistry)

Development of Food Packaging Materials

edited by

Michael Kontominas

and

María Carmen Garrigós

submission deadline 31 Oct 2025 | 6 articles | Viewed by 13495 | Submission Open

Keywords: plastics; glass; metals; paper/paperboard; biodegradable materials; recyclable materials; active and Intelligent materials; nanomaterials in packaging

(This special issue belongs to the Section Food Chemistry)

Chemical Composition and Anti-Inflammatory Activity of Essential Oils

edited by

Gianfranco Fontana

submission deadline 31 Oct 2025 | 6 articles | Viewed by 13347 | Submission Open

Keywords: essential oils; anti-inflammatory activity; chemo-prevention; natural products; inflammation cascade

(This special issue belongs to the Section Natural Products Chemistry)

New Trends of Nuclear Magnetic Resonance Spectroscopy (NMR) in Chemical and Biomolecular Studies

edited by

Igor Zhukov

submission deadline 31 Oct 2025 | 7 articles | Viewed by 11614 | Submission Open

Keywords: NMR spectroscopy; metabolomics; pharmaceutical studies; solid-state NMR; 19F NMR spectroscopy; peptide; IDP proteins

(This special issue belongs to the Section Analytical Chemistry)

Computational Approaches in Antimicrobial and Antiviral Drug Discovery: Deciphering Drug Binding and Molecular Mechanisms

edited by

Mattia Falconi

Alice Romeo

and Simone La Frazia

submission deadline 31 Oct 2025 | 6 articles | Viewed by 11025 | Submission Open

Keywords: molecular docking; virtual screening; molecular dynamics simulations; artificial intelligence; antimicrobial or antiviral activity; computational drug discovery; molecular mechanisms; experimental assays

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition

edited by

Sang-Jip Nam

and

Eun Kyoung Seo

submission deadline 31 Oct 2025 | 7 articles | Viewed by 9878 | Submission Open

Keywords: bioactive compounds; roots; stems; leaves; flowers; fruits; and seeds; natural products; natural medicine; medicinal plants

(This special issue belongs to the Section Natural Products Chemistry)

Advances in Coordination Chemistry, 3rd Edition

edited by Juan Niclós-Gutiérrez and

Miquel Barceló-Oliver

submission deadline 31 Oct 2025 | 5 articles | Viewed by 9554 | Submission Open

Keywords: synthesis strategies for novel coordination compounds; coordination compounds with tailor-made ligands for specific applications; coordination compounds with multitopic ligands; single-crystal XRD structures and dimensionality of metal complexes; metal– organic frameworks and their applications; molecular recognition in mixed ligand– metal complexes at the molecular and/or supra-molecular levels; model metal complexes from the bioinorganic frontier of biological chemistry; DFT and other theoretical approaches for inter-ligand interactions in metal complexes

(This special issue belongs to the Section Inorganic Chemistry)

Advanced Functional Nanomaterials for Energy Conversion and Storage

edited by Xiaohui Sun and Yongxiao Tuo

submission deadline 31 Oct 2025 | 5 articles | Viewed by 9542 | Submission Open

Keywords: nanomaterials synthesis; characterization; catalysis; battery; energy storage

(This special issue belongs to the Section Nanochemistry)

Fundamental Aspects of Chemical Bonding—2nd Edition

edited by

Demeter Tzeli

submission deadline 31 Oct 2025 | 7 articles | Viewed by 9356 | Submission Open

Keywords: chemical bonding; bonding analysis; calculations; interactions; MO analysis; VB analysis; electron localization function (ELF); quantum theory of atoms in molecules (QTAIM)

(This special issue belongs to the Section Computational and Theoretical Chemistry)

Advances in the Formulation of Nanocarriers for Healthcare and Environmental Applications

edited by

Patrizia Formoso

and

Rita Muzzalupo

submission deadline 31 Oct 2025 | 5 articles | Viewed by 8276 | Submission Open

Keywords: drug delivery systems; nanomedicines; nanotechnologies in agrifood and livestock fields; nanocarriers for target-specific pollutant capture; sustainable nanocarriers for environmental management and remediation

(This special issue belongs to the Section Nanochemistry)

Natural Medicines: Chemical Constituents and Pharmacological Activities: 2nd Edition

edited by

Youbo Zhang

submission deadline 31 Oct 2025 | 3 articles | Viewed by 7469 | Submission Open

Keywords: plant extract; natural products; pharmacology; analysis

(This special issue belongs to the Section Natural Products Chemistry)

New Research on Novel Photo-/Electrochemical Materials

edited by

Liangliang Feng

and

Yipu Liu

submission deadline 31 Oct 2025 | 6 articles | Viewed by 7193 | Submission Open

Keywords: photo-/electrochemistry; water splitting; fuel cell; zinc air battery; nitrogen reduction reaction; CO2 reduction reaction; photocatalytic degradation; gas sensor

(This special issue belongs to the Section Materials Chemistry)

Innovative Anticancer Compounds and Therapeutic Strategies

edited by

Mateusz Kciuk

and Beata Marciniak

submission deadline 31 Oct 2025 | 5 articles | Viewed by 7118 | Submission Open

Keywords: chemical biology; cancer therapeutics; natural compounds; small molecule drug discovery; targeted therapy; high-throughput screening; structure-based drug design; translational research

(This special issue belongs to the Section Medicinal Chemistry)

Microwave and Ultrasound-Assisted Extraction for Plant Bioactive Compounds

edited by

Ivona Elez Garofulić

and

Maja Repajić

submission deadline 31 Oct 2025 | 6 articles | Viewed by 6762 | Submission Open

Keywords: microwave-assisted extraction; ultrasound-assisted extraction; plant bioactive compounds; polyphenols; pigments; volatiles; antioxidants

(This special issue belongs to the Section Natural Products Chemistry)

Novel Synthetic Macrocycles: Synthesis, Structures, Properties and Applications

edited by

Ying Han

submission deadline 31 Oct 2025 | 3 articles | Viewed by 6355 | Submission Open

Keywords: macrocycles; supramolecular chemistry; host– guest chemistry; synthesis; applications

(This special issue belongs to the Section Macromolecular Chemistry)

Micro/Nano-Materials for Anti-Icing and/or De-Icing Applications

edited by

Hui Gao

submission deadline 31 Oct 2025 | 4 articles | Viewed by 5840 | Submission Open

Keywords: anti-icing; de-icing; micro/nano-materials; micro/nano-structures; composite materials

(This special issue belongs to the Section Materials Chemistry)

Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective

edited by

Grażyna Zgórka

submission deadline 31 Oct 2025 | 4 articles | Viewed by 5755 | Submission Open

Keywords: natural bioactive components; extraction techniques; therapeutic and biomedical profiling

(This special issue belongs to the Section Medicinal Chemistry)

Natural Deep Eutectic Solvents and Other Green Solvents: The New Lights for Extraction and Valorization of Bioactive Phytochemical Compounds

edited by

Duangjai Tungmunnithum

and

Zhijian Tan

submission deadline 31 Oct 2025 | 2 articles | Viewed by 4716 | Submission Open

Keywords: green solvents; NaDES; extraction; valorization; bioactive phytochemical compounds

(This special issue belongs to the Section Green Chemistry)

Advanced Functional Nanomaterials in Medicine and Health Care

edited by Dorota Katarzyna Flak, Tomasz Zalewski,

Marta Joanna Woźniak-Budych

and Łucja Przysiecka

submission deadline 31 Oct 2025 | 2 articles | Viewed by 4108 | Submission Open

Keywords: drug and nucleic acid delivery; imaging/contrast agent delivery; theranostic nanoparticles; nanovaccines; personalised medicine; targeted therapy; nanobiotechnology; nanodevice; regenerative medicine; biosafety/biocompatibility of nanomaterials; stability of nanomaterials in biological fluids; nanotoxicology; pharmacokinetics and pharmacodynamics; nanoinformatics and nanomodelling

(This special issue belongs to the Section Medicinal Chemistry)

Physicochemical Properties of Innovative Food Products During Processing

edited by

Marta Igual Ramo

and

Irene Peñaranda

submission deadline 31 Oct 2025 | 3 articles | Viewed by 3896 | Submission Open

Keywords: physicochemical properties; innovative foods; food processing; quality and stability; functional foods; safety and shelf life; sensory analysis; texture and rheology; bioactive compounds; emerging food technologies; food sustainability; design of food structures

(This special issue belongs to the Section Food Chemistry)

Aromatic Heterocyclic Compounds: Synthesis, Reactivity and Applications

edited by

Gilbert Kirsch

submission deadline 31 Oct 2025 | 2 articles | Viewed by 3717 | Submission Open

Keywords: aromatic heterocycles with one heteroatom; aromatic heterocycles with two or more heteroatoms; condensed compounds containing an aromatic heterocycle; direct synthesis; synthesis using electrophilic or nucleophilic reactions; metalation and reactivity; applications of aromatic heterocyclic compounds

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in Transition Metal Catalysis, 2nd Edition

edited by Dingyi Wang

submission deadline 31 Oct 2025 | 3 articles | Viewed by 3436 | Submission Open

Keywords: transition metal catalysis; photocatalysis; electrosynthesis; organic synthesis; asymmetric synthesis; C-H functionalization; C-C functionalization; C-X functionalization

(This special issue belongs to the Section Organic Chemistry)

Synthesis and Biological Evaluation of Coordination Compounds

edited by

Adenilson Oliveira dos Santos

, Francisco Ferreira De Sousa and

Fernando Mendes

submission deadline 31 Oct 2025 | 3 articles | Viewed by 3372 | Submission Open

Keywords: synthetic chemistry; coordination chemistry; biological activity; complexes; drug design; molecular targeting; metal– ligand interactions

(This special issue belongs to the Section Inorganic Chemistry)

Phytochemicals and Bioactivity: Advances in Natural Product Chemistry and Applications

edited by

Mauricio Moncada-Basualto

, Claudio Olea-Azar and

Ady Giordano

submission deadline 31 Oct 2025 | 2 articles | Viewed by 3017 | Submission Open

Keywords: phytochemicals; biological activity; natural products; phytochemical analysis; bioactive compounds; natural product chemistry; plant-based therapeutics; isolation and characterization

(This special issue belongs to the Section Natural Products Chemistry)

Mesoporous Silica and Related Nanomaterials: Synthesis, Characterization and Applications in Drug Delivery Systems and Green Chemistry

edited by

Cristian Matei

and

Ioniţă Simona

submission deadline 31 Oct 2025 | 2 articles | Viewed by 3014 | Submission Open

Keywords: mesoporous materials; drug delivery; encapsulation; nanoconfinement; adsorption; green chemistry; catalysts immobilization; catalyst recovery; pollutant reduction; renewable materials

(This special issue belongs to the Section Materials Chemistry)

Enantioselective Synthesis, Enantiomeric Separations and Chiral Recognition: 3rd Edition

edited by

Carla Fernandes

Maria Elizabeth Tiritan

and

Madalena Pinto

submission deadline 31 Oct 2025 | 3 articles | Viewed by 2754 | Submission Open

Keywords: enantioselective synthesis; enantioseparation; chiral analyses; chiral recognition; chiral sensors

Essential Oils: Chemical Composition, Bioactive, and Application

edited by

Maria Carla Marcotullio

and Nai-Wen Tsao

submission deadline 31 Oct 2025 | 2 articles | Viewed by 2608 | 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)

Feature Papers in Applied Chemistry: 4th Edition

edited by

Shaojun Yuan

submission deadline 31 Oct 2025 | 2 articles | Viewed by 2466 | Submission Open

Keywords: applied chemistry; new molecules/materials; analytical methods and techniques; electrochemistry and catalysis; new materials and medicines

(This special issue belongs to the Section Applied Chemistry)

Processing of Materials by Supercritical Fluids, 3rd Edition

edited by

Stefano Cardea

submission deadline 31 Oct 2025 | 1 articles | Viewed by 2419 | Submission Open

Keywords: supercritical fluids; materials; aerogels; particles; membranes; fibers; scaffolds

(This special issue belongs to the Section Green Chemistry)

Modern Materials in Energy Storage and Conversion—Second Edition

edited by Yuanyuan Zhu,

Yanmin Jia

and

Fujun Li

submission deadline 31 Oct 2025 | 2 articles | Viewed by 2305 | Submission Open

Keywords: modern materials; batteries; supercapacitors; solar cells; catalysis

(This special issue belongs to the Section Materials Chemistry)

Innovative Approaches to Sustainable Wastewater Treatment—Recent Developments in Hazardous Pollutants Removal

edited by

Anna Wołowicz

and

Monika Wawrzkiewicz

submission deadline 31 Oct 2025 | 3 articles | Viewed by 2208 | Submission Open

Keywords: wastewater treatment; industrial wastewater; physical methods; chemical methods; biological methods; emerging micropollution; dyes; heavy metals; removal; (bio)sorbent; ion exchange resin

(This special issue belongs to the Section Green Chemistry)

Novel Heterocyclic Compounds: Synthesis and Applications

edited by

Mario Orodnez

and José Luis Viveros-Ceballos

submission deadline 31 Oct 2025 | 1 articles | Viewed by 2126 | 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)

Advance in Radiochemistry, 2nd Edition

edited by

Chang-Tong Yang

submission deadline 31 Oct 2025 | 3 articles | Viewed by 1909 | Submission Open

Keywords: radiochemistry; radionuclide (radioisotopes); radiolabeling; radiopharmaceutical (radiotracer); nuclear medicine; theranostics (diagnostics and therapeutics); molecular imaging

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Metal/Oxide Interfacial Catalysts: Design, Properties, and Applications

edited by Mausumi Mahapatra

submission deadline 31 Oct 2025 | 3 articles | Viewed by 1904 | Submission Open

Keywords: oxides; metal– oxide interface; catalysts; active sites; heterogeneous catalysis

(This special issue belongs to the Section Physical Chemistry)

Supramolecular Host/Guest Compounds and Their Prospects for Multifunctional Materials

edited by Angela Danil De Namor and Nawal Al Hakawati

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1783 | Submission Open

Keywords: supramolecular chemistry; host-guest chemistry; macrocycles and cages; self-assembly; supramolecular materials

(This special issue belongs to the Section Macromolecular Chemistry)

Photocatalytic Generation of Heterocycles

edited by Zuxiao Zhang and

Gianfranco Favi

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1774 | Submission Open

Keywords: photocatalytic; cyclization; heterocycles

(This special issue belongs to the Section Organic Chemistry)

Advanced Functional Membrane Materials: Fabrication and Applications

edited by

Heng Mao

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1734 | Submission Open

Keywords: functional membrane material; nanochemistry; polymeric synthesis; molecular design; synthesis method; material processing; catalysis and separation

(This special issue belongs to the Section Applied Chemistry)

Bioactive Compounds for Brain Ischemia and Neurodegenerative Disease—3rd Edition

edited by