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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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Advances in Electrochemical Nanocomposites

edited by

Bishweshwar Pant

and

Gunendra Prasad Ojha

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2127 | Submission Open

Keywords: nanomaterials; nanocomposites; electrocatalysis; electrochemical properties

(This special issue belongs to the Section Applied Chemistry)

NUCLEO-OMICS24

edited by

Giovanni N. Roviello

and

Valentina Mittova

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2113 | Submission Open

Keywords: dynamics of biomacromolecule-ligand interactions; photoactivatable polymeric nanoconstructs for unconventional therapies; NMR-based metabolomics for bioactive natural products; supramolecular architectures and multivalent tools in biomedical applications

(This special issue belongs to the Section Chemical Biology)

Molecular Spectroscopy and Computations of Solvation Phenomena of Bioorganic Molecules: New Insights and Applications

edited by

Teobald Kupka

and

Ioannis P. Gerothanassis

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2051 | Submission Open

Keywords: bioorganic molecules; solvation phenomena; spectroscopic methods; quantum chemical methods

(This special issue belongs to the Section Bioorganic Chemistry)

G-quadruplexes in Chemical Biology and Drug Discovery

edited by

Stefano D’Errico

, Gennaro Piccialli and Maria Marzano

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2020 | Submission Open

Keywords: DNA; G-quadruplex; telomeres; supramolecular chemistry; oligonucleotides; drug discovery; chemical biology

(This special issue belongs to the Section Medicinal Chemistry)

Phytochemical Wisdom: Traditional Medicinal Plants for Anti-Infective Drug Discovery

edited by

Paolo Coghi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2014 | Submission Open

Keywords: traditional medicinal plants; anti-infective agents; antimicrobial resistance (AMR); medicinal chemistry; phytochemicals; natural product drug discovery

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

Advances in European Medicinal Chemistry

edited by

Jorge A. R. Salvador

and

Thomas Mavromoustakos

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2001 | Submission Open

Keywords: medicinal chemistry; drug design; natural compounds; synthesis and analysis; structure-activity relationships; biological screening; chemical biology and biological chemistry; biomaterials; excipients

(This special issue belongs to the Section Medicinal Chemistry)

NMR Spectroscopy in Structural Biology and Drug Discovery Research

edited by

Marilisa Leone

Flavia Anna Mercurio

and

Marian Vincenzi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1846 | Submission Open

Keywords: solution-NMR; in cell-NMR; solid state-NMR; NMR screening (small molecules and peptides); fragment-based drug discovery; SAR by NMR; ligand-based approaches; target-based approaches; protein-ligand interactions; peptides as drugs; epitope mapping; 19F NMR; chemical shift mapping

(This special issue belongs to the Section Bioorganic Chemistry)

Spectroscopic Insights into Innovative Materials

edited by Waldeci Paraguassu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1750 | Submission Open

Keywords: spectroscopic techniques; materials science; electronic structure; chemical composition; surface analysis

(This special issue belongs to the Section Physical Chemistry)

Organometallic Chemistry in Europe

edited by

Gianpiero Cera

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1713 | Submission Open

Keywords: organometallic chemistry; complexes; metals; metal–carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy; supramolecular chemistry; self-assembly; metal–organic assemblies; molecular architectures; supramolecular materials; chemosensors

(This special issue belongs to the Section Organometallic Chemistry)

Chemopreventive Activity of Natural Products

edited by

Dimitrios Stagos

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1707 | Submission Open

Keywords: plant extracts; natural compounds; antioxidants; anticancer; polyphenols; ROS-induced DNA damage

(This special issue belongs to the Section Medicinal Chemistry)

Analysis of Pesticide Residues in Food and Environmental Samples

edited by

Xu Jing

and Xueke Liu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1603 | Submission Open

Keywords: analytical methods; green analytical chemistry; sample pretreatment; microextraction methods; detection techniques; quantitative determination; degradation pathways; metabolite analysis; toxicity evaluation

(This special issue belongs to the Section Analytical Chemistry)

Heavy Metal Pollutants in Water, Wastewater and Sediments: From Occurrence and Determination to Removal and Recovery

edited by

Maciej Thomas

Krzysztof Barbusiński

and

Tomáš Bakalár

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1526 | Submission Open

Keywords: heavy metals; analytical methods; wastewater; sludge; recycling; green chemistry; circular economy; sustainable development

(This special issue belongs to the Section Green Chemistry)

Chemical Approaches in Water Treatment: Environmental Toxicology and Hygiene Perspectives

edited by

Antonietta Siciliano

and

Lorenzo Saviano

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1441 | Submission Open

Keywords: water treatment technologies; environmental toxicology; hygiene practices; chemical contaminants; eco-friendly water treatment; public health safety; toxicological risk assessment; pollutant removal methods

(This special issue belongs to the Section Green Chemistry)

Recent Advances in Flame Retardant Polymeric Materials, 2nd Edition

edited by

Chao Ma

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1375 | Submission Open

Keywords: polymeric materials; flame retardants; synthesis; multifunctionality; mechanisms; nanocomposites

(This special issue belongs to the Section Materials Chemistry)

New Insights into Electrochemical Energy Storage and Conversion: Aqueous Rechargeable Batteries

edited by

Hongpeng Li

and Ruizheng Zhao

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1310 | Submission Open

Keywords: aqueous batteries; electrochemical reactions; electrode materials; electrolyte; regulation

(This special issue belongs to the Section Electrochemistry)

Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition

edited by

Maja Jukić Špika

and Barbara Soldo

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1130 | Submission Open

Keywords: plants; extraction; chemical composition; biologically active compounds; antioxidation; antitumor activity; microbiological activity

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

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 1098 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in the Organic Synthesis of Bioactive Natural Compounds and Their Analogs

edited by

Ioannis Kostakis

and

Alexios Leandros Skaltsounis

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1034 | Submission Open

Keywords: bioactive natural compounds; organic synthesis; natural products; synthetic methodologies; medicinal chemistry; drug discovery; total synthesis

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

Epoxy Resin Synthesis, Performance and Application Research: Second Edition

edited by

Jin Li

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1028 | Submission Open

Keywords: synthesis; modification; and characterization; curing kinetics and mechanism; epoxy-based nanocomposites; interface characteristics; advanced hardeners; modifiers; and accelerators; thermal; mechanical; and dielectric properties; applications; quantum chemical calculations; molecular design

(This special issue belongs to the Section Macromolecular 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 976 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Electrochemical Sensors

edited by

Yixi Xie

submission deadline 31 Dec 2025 | 1 articles | Viewed by 928 | Submission Open

Keywords: electrochemical sensor; modified electrodes; photoelectrochemical sensor; wearable sensor; environmental monitoring; food safety analysis

(This special issue belongs to the Section Electrochemistry)

Recyclable Supramolecular Polymer Materials

edited by

Bo Qin

submission deadline 31 Dec 2025 | 1 articles | Viewed by 857 | 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)

Novel Nanomaterials for Photocatalysis

edited by

Joanna Kisała

Denisa Ficai

and

Gianluca Viscusi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 841 | Submission Open

Keywords: photocatalyst synthesis; band gap engineering; enhanced light absorption; clean energy; advanced oxidation/reduction processes; self-cleaning coatings; photocatalysis reaction mechanisms; artificial photosynthesis

(This special issue belongs to the Section Photochemistry)

Green Synthesis and Environmental Application of Biomass-Based Materials

edited by Congyu Zhang and

Xinhua Qi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 746 | Submission Open

Keywords: biomass; biochar; functional material; environmental application; green synthesis; sustainability

(This special issue belongs to the Section Green Chemistry)

Synthesis, Properties, and Applications of Chiral Molecules

edited by José Luis Olivares-Romero

submission deadline 31 Dec 2025 | 1 articles | Viewed by 650 | Submission Open

Keywords: asymmetric catalysis; new chiral catalyst; stereoselective synthesis of natural products and analogs; chiral auxiliaries and reagents; computational and mechanistic studies of chiral processes; stereochemical characterization (e.g.; ECD; VCD; NMR; XRD); chirality in pharmaceutical development (ADMET; enantioselective binding); enantioselective recognition; sensors; and separation technologies; chiral materials in optoelectronics; polymers; and supramolecular chemistry; green and sustainable strategies for chiral synthesis

(This special issue belongs to the Section Organic 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 634 | Submission Open

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

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

Molecular Dynamics for Chemical Reactions

edited by

Irmgard Frank

submission deadline 31 Dec 2025 | 1 articles | Viewed by 609 | Submission Open

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

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

Chemistry Applied to Enhanced Oil Recovery

edited by

Mingwei Zhao

and Mingwei Gao

submission deadline 31 Dec 2025 | 1 articles | Viewed by 602 | 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)

Peptide Chemistry: Recent Trends and Advancements

edited by Fa-Jie Chen and

Alicja Kluczyk

submission deadline 31 Dec 2025 | Viewed by 568 | 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 | Viewed by 411 | 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)

Functional Foods: Chemical Challenges and Opportunities

edited by Yan Zhang and Haixia Wu

submission deadline 31 Dec 2025 | Viewed by 387 | 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)

Propolis in Human and Bee Health—2nd Edition

edited by

Magdalena Woźniak

and

Izabela Ratajczak

submission deadline 31 Dec 2025 | Viewed by 356 | 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)

Exclusive Feature Papers in Natural Products Chemistry, 3rd Edition

edited by

David Barker

and

Francesco Cacciola

submission deadline 31 Dec 2025 | Viewed by 355 | 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)

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 334 | 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 310 | 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 303 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Plant-Based Bioactives and Sustainable Sources: Unlocking the Potential of Underutilized Resources

edited by

Ali Rashidinejad

and

Mirja Kaizer Ahmmed

submission deadline 31 Dec 2025 | Viewed by 295 | Submission Open

Keywords: valorization of agricultural and food processing by-products as sources of bioactives; extraction and purification techniques for plant-derived bioactive compounds; bioactive peptides and polyphenols from underutilized or wild plant species; functional and health-promoting properties of plant-based bioactives; sustainable biorefinery approaches for bioactive recovery; In vitro and in vivo evaluation of bioactivity (e.g.; antioxidant; anti-inflammatory; antimicrobial); applications in functional foods; nutraceuticals; and cosmeceuticals; environmental and economic assessments of sustainable bioactive sourcing

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

Natural Extracts for Pharmaceutical Applications

edited by

Isabel S. Carvalho

submission deadline 31 Dec 2025 | Viewed by 278 | 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)

Bioactive Compounds in Cosmetic Applications

edited by

Sonia Laneri

submission deadline 31 Dec 2025 | 1 articles | Viewed by 277 | 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)

Advances in Ammonia Synthesis

edited by Wenbo Gao

submission deadline 31 Dec 2025 | Viewed by 263 | 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 260 | 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 255 | 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 245 | 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)

Innovative Nanostructures for Energy and Environmental Applications

edited by

Janardhan Reddy Koduru

submission deadline 31 Dec 2025 | Viewed by 243 | 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)

The Synthesis and Application of Rare-Earth-Doped Luminescent Materials

edited by

Liang Zhou

and Rui Wang

submission deadline 31 Dec 2025 | Viewed by 243 | 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 238 | Submission Open