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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 | 5 articles | Viewed by 6173 | 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 341 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Antioxidant Discovery: Computational Modeling, Molecular Mechanisms and Therapeutic Applications

edited by

Adriana Perez-Gonzalez

submission deadline 30 Oct 2025 | Viewed by 222 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

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 | 19 articles | Viewed by 54087 | 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 30946 | 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 28412 | 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 18810 | 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 17710 | 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 | 6 articles | Viewed by 17628 | 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 17265 | 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 14842 | 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 | 7 articles | Viewed by 14559 | 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 14056 | 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 12086 | 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 11628 | 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 10498 | 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)

Advanced Functional Nanomaterials for Energy Conversion and Storage

edited by Xiaohui Sun and Yongxiao Tuo

submission deadline 31 Oct 2025 | 5 articles | Viewed by 9825 | 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 9637 | 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 8865 | 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)

Innovative Anticancer Compounds and Therapeutic Strategies

edited by

Mateusz Kciuk

and Beata Marciniak

submission deadline 31 Oct 2025 | 5 articles | Viewed by 7995 | 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)

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

edited by

Youbo Zhang

submission deadline 31 Oct 2025 | 3 articles | Viewed by 7971 | 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 7583 | 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)

Microwave and Ultrasound-Assisted Extraction for Plant Bioactive Compounds

edited by

Ivona Elez Garofulić

and

Maja Repajić

submission deadline 31 Oct 2025 | 7 articles | Viewed by 7448 | 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 6681 | 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 6318 | Submission Open

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

(This special issue belongs to the Section Materials 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 4928 | 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 4219 | 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 4063 | 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)

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 3599 | 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 3203 | 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 3109 | 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)

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 2779 | 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 2638 | 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 2503 | 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 2456 | 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 2391 | 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)

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

edited by Mausumi Mahapatra

submission deadline 31 Oct 2025 | 3 articles | Viewed by 2190 | 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 1875 | 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 1861 | Submission Open

Keywords: photocatalytic; cyclization; heterocycles

(This special issue belongs to the Section Organic Chemistry)

Plant Metabolites: Isolation, Phytochemistry, and Biological Activities

edited by

Dagmara Wróbel-Biedrawa

, Karolina Grabowska and

Luca Rastrelli

submission deadline 31 Oct 2025 | 2 articles | Viewed by 1791 | Submission Open

Keywords: isolation; plant metabolites; plant extracts; medicinal plants; biological activity assessment

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

Recent Advances in Electrochemistry: Analysis and Application

edited by

Xiaolei Sun

and Wenhe Xie

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1659 | Submission Open

Keywords: advanced electrode materials; electrochemical energy storage; bioelectrochemistry applications; nanotechnology in electrochemistry; electrochemical sensors and biosensors; computational electrochemistry; electrochemical water treatment

(This special issue belongs to the Section Electrochemistry)

Graphene and Graphene-Related Materials for Energy and Environment: Synthesis and Application

edited by

Saverio Latorrata

and

Andrea Basso Peressut

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1586 | Submission Open

Keywords: graphene; graphene-related materials; energy applications; fuel cells; capacitors; photocatalysis; adsorption

(This special issue belongs to the Section Materials Chemistry)

Young Talents in Medicinal Chemistry

edited by

Arduino A. Mangoni

and

Chiara Brullo

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1358 | Submission Open

Keywords: medicinal chemistry; cancer; drug discovery; drug synthesis; pharmacology; toxicology

(This special issue belongs to the Section Medicinal Chemistry)

Metal-Based Molecular Photosensitizers: From Design to Applications

edited by

Yao Sun

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1337 | Submission Open

Keywords: photosensitizers; molecular metal complexes; metal-organic complexes; metal-organic frameworks; photodynamic therapy

(This special issue belongs to the Section Organometallic Chemistry)

Biological Activity of Metal Complexes: Design and Characterization Strategies

edited by

Enrique González-Vergara

and

María Eugenia Castro

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1329 | Submission Open

Keywords: metal complexes; biological activity; metallodrugs; anticancer: antibacterial; antiviral; antiparasitic: delivery methods; biophysical characterization; DFT; docking

(This special issue belongs to the Section Inorganic Chemistry)

Functional Coordination Compounds: Design, Synthesis and Applications

edited by Ji-Dong Leng and Wei-Quan Lin

submission deadline 31 Oct 2025 | 2 articles | Viewed by 1318 | Submission Open

Keywords: coordination compounds; magnetic materials; luminescence; nonlinear optical; stimuli-responsive; catalytic; sensing

(This special issue belongs to the Section Applied Chemistry)

Advances in Metallocene Chemistry

edited by

Karlheinz Sünkel

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1231 | Submission Open

Keywords: metallocene; macromolecular chemistry; bio-organometallic chemistry; catalysis

(This special issue belongs to the Section Organometallic Chemistry)

Nanomaterials for the Detection of Biomolecules

edited by

Marcin Godzierz

Krystian Mistewicz

and Rene Pfeifer

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1162 | Submission Open

Keywords: nanomaterials; electrochemistry; biological sensors; gas sensors; synthesis; molecule detection

(This special issue belongs to the Section Analytical Chemistry)

Catalytic Green Reductions and Oxidations, 2nd Edition

edited by

Zhanhui Yang

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1151 | Submission Open

Keywords: green chemistry; redox reactions; organocatalysis; metal catalysis; heterocatalysis; homocatalysis; photocatalysis; electrocatalysis

(This special issue belongs to the Section Organic Chemistry)

Novel Nanomaterials: Sensing Development and Applications

edited by

Peter Feng

and

Andrew F. Zhou

submission deadline 31 Oct 2025 | 1 articles | Viewed by 1039 | Submission Open

Keywords: biosensor; nanomaterials; material design; nanocomposite; sensor; sensor applications

(This special issue belongs to the Section Materials Chemistry)

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