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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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Synthesis and Characterization of Peripherally Functionalized Porphyrazines and Phthalocyanines

edited by

Tomasz Koczorowski

and

Dariusz T. Mlynarczyk

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1122 | Submission Open

Keywords: porphyrazine; phthalocyanine; organic synthesis; photodynamic therapy; photodynamic inactivation; photocatalysis; photodegradation; electrocatalysis

(This special issue belongs to the Section Organic Chemistry)

Immunomodulatory and Anti-Inflammatory Activities of Natural Compounds with Adaptogenic Potential

edited by Daniel Załuski and

Jakub Gębalski

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1012 | Submission Open

Keywords: adaptogens; immunomodulation; inflammation; phytochemicals; herbal medicine; cytokines; oxidative stress

(This special issue belongs to the Section Medicinal Chemistry)

Recyclable Supramolecular Polymer Materials

edited by

Bo Qin

submission deadline 31 Dec 2025 | 1 articles | Viewed by 883 | 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)

Natural Products as Antimicrobial and Antiviral Agents: From Extraction to Therapeutic Applications

edited by

Maria Michela Salvatore

and

Anna Andolfi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 677 | Submission Open

Keywords: bioactive compounds; specialized metabolites; metabolomics; antiviral activity; antimicrobial activity; infectious diseases

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

Chemistry Applied to Enhanced Oil Recovery

edited by

Mingwei Zhao

and Mingwei Gao

submission deadline 31 Dec 2025 | 1 articles | Viewed by 642 | 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)

Molecular Dynamics for Chemical Reactions

edited by

Irmgard Frank

submission deadline 31 Dec 2025 | 1 articles | Viewed by 638 | Submission Open

Keywords: ab initio molecular dynamics; reactive dynamics; highly reactive systems

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

Peptide Chemistry: Recent Trends and Advancements

edited by Fa-Jie Chen and

Alicja Kluczyk

submission deadline 31 Dec 2025 | Viewed by 574 | Submission Open

Keywords: peptide synthesis; cyclic peptide; peptide ligation; peptide stapling; peptide library; peptide therapy; structure and activity

(This special issue belongs to the Section Medicinal Chemistry)

Multifunctional Electrocatalysts for Overall Water Splitting

edited by Haeseong Jang

submission deadline 31 Dec 2025 | Viewed by 485 | Submission Open

Keywords: electrocatalysts; water splitting; oxygen evolution reaction; hydrogen evolution reaction; nanostructure

(This special issue belongs to the Section Electrochemistry)

Chemical Conversion and Utilization of CO₂

edited by Gang Li

submission deadline 31 Dec 2025 | 1 articles | Viewed by 432 | Submission Open

Keywords: CO2 utilization for green synthesis; photocatalytic CO2 utilization; C-H carboxylation with CO2; green synthetic methodology development; functional materials design for CO2 utilization

(This special issue belongs to the Section Organic Chemistry)

Bioactive Compounds in Cosmetic Applications

edited by

Sonia Laneri

submission deadline 31 Dec 2025 | 1 articles | Viewed by 419 | 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)

10th Anniversary of Organometallic Chemistry Section

edited by

Alistair Lees

and

Isabella Rimoldi

submission deadline 31 Dec 2025 | 2 articles | Viewed by 404 | 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)

Functional Foods: Chemical Challenges and Opportunities

edited by Yan Zhang and Haixia Wu

submission deadline 31 Dec 2025 | Viewed by 388 | Submission Open

Keywords: functional foods; chemical stability; advanced extraction methods; chemical modification; chemical bioavailability; food safety

(This special issue belongs to the Section Food Chemistry)

Exclusive Feature Papers in Natural Products Chemistry, 3rd Edition

edited by

David Barker

and

Francesco Cacciola

submission deadline 31 Dec 2025 | Viewed by 369 | Submission Open

Keywords: natural products; plant secondary metabolism; phytochemical analysis; nutrients and bioactive compounds; bioaccessibility and bioavailability; antioxidant; anti-inflammatory; anticancer

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

Propolis in Human and Bee Health—2nd Edition

edited by

Magdalena Woźniak

and

Izabela Ratajczak

submission deadline 31 Dec 2025 | Viewed by 360 | Submission Open

Keywords: propolis; plant sources; biological activity; bee health; bioactive compounds; pharmacological properties; analytical methods; applications

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

A Special Issue Celebrating the 75th Birthday of Professor Massimo Stefani

edited by

Manuela Leri

and

Monica Bucciantini

submission deadline 31 Dec 2025 | Viewed by 338 | Submission Open

Keywords: protein aggregates; natural compounds; enzyme biochemistry; protein folding; misfolding; and aggregation; amyloid diseases; natural polyphenols; neurodegenerative disorders

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

Exploring Schiff Base Ligands and Their Metal Complexes

edited by

Mihaela Badea

submission deadline 31 Dec 2025 | Viewed by 317 | Submission Open

Keywords: schiff base ligands; complexes; X-ray structure; antimicrobial; antitumor; antiviral activity; catalysts

(This special issue belongs to the Section Inorganic Chemistry)

Analytical Techniques in Environmental Chemistry, 2nd Edition

edited by

Marcin Frankowski

submission deadline 31 Dec 2025 | Viewed by 306 | Submission Open

Keywords: environmental analytical chemistry; contaminants; environmental impact assessment; analytical techniques; environmental pollution

(This special issue belongs to the Section Analytical Chemistry)

Natural Extracts for Pharmaceutical Applications

edited by

Isabel S. Carvalho

submission deadline 31 Dec 2025 | Viewed by 289 | 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)

Advances in Ammonia Synthesis

edited by Wenbo Gao

submission deadline 31 Dec 2025 | Viewed by 268 | Submission Open

Keywords: ammonia synthesis; heterogeneous catalysis; nitrogen activation; ammonia energy; reaction mechanism; photo/electrochemical ammonia synthesis

(This special issue belongs to the Section Applied Chemistry)

Exploring Heterocyclic Compounds: Design, Synthesis and Medicinal Chemistry Applications

edited by

Renzo Luisi

Smaranda Oniga

and

Philipp Natho

submission deadline 31 Dec 2025 | Viewed by 266 | Submission Open

Keywords: heterocyclic compounds; medicinal chemistry; drug design; synthetic methodologies; structure– activity relationships (SARs); computational chemistry

(This special issue belongs to the Section Organic Chemistry)

AI-Powered Biomolecular Modeling: Bridging Scales and Accelerating Discovery

edited by

Zhaoxi Sun

Jianzhong Chen

and Hui Wang

submission deadline 31 Dec 2025 | Viewed by 259 | Submission Open

Keywords: artificial intelligence; molecular simulations; machine learning; force field development; enhanced sampling; ab initio calculations

Biodegradable Functional Copolymers, Second Edition

edited by

Jean Coudane

submission deadline 31 Dec 2025 | Viewed by 251 | 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

Liang Zhou

and Rui Wang

submission deadline 31 Dec 2025 | Viewed by 249 | Submission Open

Keywords: luminescent materials; molecular design; luminescent mechanisms and processes; display; lighting; detection

(This special issue belongs to the Section Materials Chemistry)

A Theme Issue in Honor of Professor Gary E. Martin's 75th Birthday

edited by R. Thomas Williamson and

Leonid B. Krivdin

submission deadline 31 Dec 2025 | Viewed by 247 | Submission Open

Keywords: NMR; pulse sequences; natural products; pharmaceuticals; anisotropic NMR; CASE; DFT

(This special issue belongs to the Section Bioorganic Chemistry)

Artificial Intelligence Driving Transformative Advances in Food Science and Technology

edited by

Alicia Gil-Ramírez

and

Miguel Rebollo-Hernanz

submission deadline 31 Dec 2025 | Viewed by 238 | 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)

The Therapeutic Potential of Natural and Synthetic Anti-Inflammatories

edited by

Alisson Macário De Oliveira

Patrícia Maria Guedes Paiva

and Wendeo Kennedy Costa

submission deadline 31 Dec 2025 | Viewed by 227 | 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)

Phenotypic Screening for Drug Development and Discovery

edited by Xiang Li

submission deadline 31 Dec 2025 | Viewed by 211 | 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)

Synthesis and Application of Chalcogen-Containing Organic Compounds

edited by

Angelita Manke Barcellos

Diego Alves

and

Eder João Lenardão

submission deadline 31 Dec 2025 | Viewed by 206 | 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)

Antimicrobial Peptide Assemblies

edited by

Wen Li

submission deadline 31 Dec 2025 | Viewed by 201 | Submission Open

Keywords: peptides; peptide hybrids; peptide conjugates; self-assembly; stimuli-responsiveness; antimicrobial activity

(This special issue belongs to the Section Chemical Biology)

Unique Heterocycles for Drug Discoveries

edited by

Xinghai Liu

submission deadline 31 Dec 2025 | Viewed by 196 | Submission Open

Keywords: heterocyclic compound; heterocyclic chemistry; medicinal chemistry; drug discovery; synthetic methodologies; drug design

(This special issue belongs to the Section Organic Chemistry)

Applications of Advanced Functional Materials: Electrocatalysis and Energy

edited by

Rajneesh Kumar Mishra

submission deadline 31 Dec 2025 | Viewed by 179 | 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)

Feature Review Papers in Electrochemistry, 2nd Edition

edited by

Ram K. Gupta

and

César Augusto Correia de Sequeira

submission deadline 31 Dec 2025 | Viewed by 176 | 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)

Plasma Catalysis Method in Catalytic Process

edited by

Sanchari Chowdhury

and Debtanu Maiti

submission deadline 31 Dec 2025 | Viewed by 168 | 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)

Tailored Fluorescent Probes for Selective Recognition of Heavy Metal Species

edited by

Ying Hu

submission deadline 31 Dec 2025 | Viewed by 163 | 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)

Advances in Heterogeneous Catalysis for Green Chemistry

edited by Chen Li,

Iwona Kuzniarska-Biernacka

and

Liangchun Li

submission deadline 31 Dec 2025 | Viewed by 162 | Submission Open

Keywords: green chemistry; heterogeneous catalysis; photocatalysis; electrocatalysis; thermal catalysis

(This special issue belongs to the Section Green Chemistry)

Sustainable Approaches to Nanoparticle Synthesis: Toward a Greener and Safer Future

edited by

Vladimir Mihailovic

submission deadline 31 Dec 2025 | Viewed by 161 | 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)

Advances in Material Chemistry for Sustainable Energy Storage: Innovations, Challenges, and Future Directions

edited by

Bofeng Shang

and Peng Liu

submission deadline 31 Dec 2025 | Viewed by 155 | 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)

Advanced Delivery Systems for Therapeutic and Agro-Chemical Applications

edited by

Wenjing Ma

submission deadline 31 Dec 2025 | 1 articles | Viewed by 138 | Submission Open

Keywords: micro- and nano-carriers; responsive; toxicology; safety; drug delivery

(This special issue belongs to the Section Applied Chemistry)

Metal Oxide Nanomaterials: Synthesis, Structures and Optical Properties

edited by

Anton Airinei

submission deadline 31 Dec 2025 | Viewed by 131 | 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)

Emerging Technologies for Chemical Recovery of Spent Batteries

edited by Yuan Liang and

Feng Yu

submission deadline 31 Dec 2025 | Viewed by 86 | 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

Agata Krakowska

submission deadline 31 Dec 2025 | Viewed by 83 | Submission Open

Keywords: degradation; remediation; analysis; pollutions; soil; new technology

(This special issue belongs to the Section Applied Chemistry)

Review Papers in Materials Chemistry—2nd Edition

edited by

Giuseppe Cirillo

and

Fiore P. Nicoletta

submission deadline 15 Jan 2026 | 1 articles | Viewed by 635 | 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

Dušan Dimić

submission deadline 16 Jan 2026 | 1 articles | Viewed by 1199 | 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

Valdimaras Janulis

, Mindaugas Liaudanskas and

Kristina Zymonė

submission deadline 20 Jan 2026 | 5 articles | Viewed by 7590 | 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 1209 | 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)

The Design, Synthesis, and Biological Activity of New Drug Candidates, 2nd Edition

edited by Carolina S. Marques,

Pedro Brandão

and

Anthony J. Burke

submission deadline 30 Jan 2026 | 4 articles | Viewed by 5196 | Submission Open

Keywords: bioactive; in silico; in vitro; in vivo; ADMET; synthesis; privilege scaffold; active pharmaceutical ingredients

(This special issue belongs to the Section Medicinal Chemistry)

Molecular, Technological and Nutritional Aspects of Food Fortification and Processing

edited by

Stanisław Kowalski

and

Anna Mikulec

submission deadline 30 Jan 2026 | 1 articles | Viewed by 1897 | 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

Wei Cai

submission deadline 30 Jan 2026 | 1 articles | Viewed by 1833 | Submission Open

Keywords: LC– MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics

(This special issue belongs to the Section Analytical Chemistry)

State of the Art of Natural Antioxidants: Extraction, Detection and Biofunctions—2nd Edition

edited by