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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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Insight into Electrochemical and Photocatalysis/Photoelectrochemical Hydrogen Evolution

edited by

Yanxin Chen

submission deadline 31 Dec 2025 | 2 articles | Viewed by 3097 | Submission Open

Keywords: hydrogen evolution reactions (HER); hydrogen production; electrocatalysts (electrocatalysis); photocatalysts (photocatalysis); photoelectrochemical (PEC); energy conversion; (nano)materials

(This special issue belongs to the Section Materials Chemistry)

Magnetic Targeted Nanomaterials and Applications in Drug Delivery and Diagnostics

edited by

Athanasios Skouras

Sophia G. Antimisiaris

and

Alexandru Mihai Grumezescu

submission deadline 31 Dec 2025 | 3 articles | Viewed by 3080 | Submission Open

Keywords: magnetic targeting; theranostics; drug delivery; nanomaterials; magnetic hyperthermia

(This special issue belongs to the Section Nanochemistry)

Intermolecular Interaction Predictions for Large Molecular Systems

edited by

Shuhua Li

and Wei Li

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2944 | Submission Open

Keywords: intermolecular interactions; low scaling quantum chemistry; machine learning; experimental techniques; computational predictions

(This special issue belongs to the Section Physical Chemistry)

Innovations in Metal–Organic Frameworks: Their Synthesis, Properties and Multifaceted Applications

edited by

Francis Verpoort

and

Cheng-Xing Cui

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2938 | Submission Open

Keywords: MOFs; heterogeneous catalysis; storage; adsorption; photocatalysis; fluorescent sensors; electronic devices

(This special issue belongs to the Section Materials Chemistry)

BODIPYs: State of the Art and Future Perspectives

edited by

Jorge Bañuelos Prieto

and

Edurne Avellanal-Zaballa

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2924 | Submission Open

Keywords: BODIPYs; spectroscopy; synthesis; quantum mechanics; tunable laser; bioimaging; photodynamic therapy; optoelectronics

(This special issue belongs to the Section Colorants)

Anticancer Computational Drug Discovery: New Approaches, New Targets, and New Treatments

edited by

H. Andy Zhong

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2874 | Submission Open

Keywords: anticancer; structure-based drug design; de novo drug design; artificial intelligence (AI); big data machine learning and virtual screening

(This special issue belongs to the Section Medicinal Chemistry)

Isolation, Characterization, and Application of Anticancer Agents from Natural Products

edited by

Ewa Skała

and

Agnieszka Kicel

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2854 | Submission Open

Keywords: medicinal plants; bioactive phytochemicals; cytotoxic activity; oxidative stress; anticancer potential; mechanism of action; cancer cells

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

Functional Heterocyclic Compounds with Outstanding Biological Activities

edited by

Oana Maria Dragostin

and

Maria Luisa Di Gioia

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2841 | Submission Open

Keywords: pharmaceutical chemistry; bioactive heterocyclic compounds; antitumor extracts; plant extract– synthetic substances associations; biocompatibility; nontoxicity

(This special issue belongs to the Section Medicinal Chemistry)

Functional Foods Enriched with Natural Bioactive Compounds

edited by

Natalia Drabińska

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2625 | Submission Open

Keywords: functional food; bioactive compounds; phytochemicals; fortification; valorization; by-products; polyphenols; glucosinolates; gluten-free; probiotics; prebiotics; health benefits; sensory analysis; bioavailability

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

Advances in Nanomaterials for Biomedical Applications, 2nd Edition

edited by Xueen Jia and Ce Zhang

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2615 | Submission Open

Keywords: 2D nanomaterials; metal– organic frameworks (MOFs); metasurfaces; biosensor; drug delivery

(This special issue belongs to the Section Nanochemistry)

Functional Materials for Small Molecule Electrocatalysis

edited by

Feng Hu

, Linlin Li and Qingxue Lai

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2376 | Submission Open

Keywords: electrocatalysis; nanomaterials; electrochemical conversion of H2O; CO2 and N2

(This special issue belongs to the Section Nanochemistry)

Modern Trends and Solutions in Analytical Chemistry in Poland

edited by

Tomasz Tuzimski

submission deadline 31 Dec 2025 | 4 articles | Viewed by 2331 | Submission Open

Keywords: analytical and physical chemistry; separation sciences; chromatographic methods and related techniques (HPLC; SPE; SFC; GC; CZE; UPLC; GC × GC; and others); sample preparation and extraction techniques (SPE; QuEChERS/d-SPE; SPME; SBSE; HFLPME; DLLME; FUSLE; and others); detection techniques (DAD; FLD; MS; MS/MS; and others); spectrometry; bioanalytics; proteomics; metabolomics; and lipidomics; nanotechnology; environmental sciences; natural product chemistry (isolation; identification and quantification of bioactive compounds; and in vitro and then in vivo investigations on their biological activity); food analysis and food safety; xenobiotics analysis in environmental; biological; and food samples; chemometrics and statistical analysis

(This special issue belongs to the Section Analytical Chemistry)

Biological Evaluation of Plant Extracts

edited by

Rumyana Simeonova

submission deadline 31 Dec 2025 | 5 articles | Viewed by 2288 | Submission Open

Keywords: medicinal plants; phytochemistry; phytopharmacology; metabolomics; proteomics; cell signalization

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

Zeolites and Related Materials

edited by Svetlana Mintova and Eddy Dib

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2279 | Submission Open

Keywords: zeolites; crystal growth; structures; molecular interactions; diffusion; in situ

(This special issue belongs to the Section Materials Chemistry)

Development and Application of Environmentally Friendly Surfactants

edited by Christina Vakh

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2274 | Submission Open

Keywords: surfactants; green analysis; synthesis of sustainable surfactants; application of sustainable surfactants

(This special issue belongs to the Section Green Chemistry)

Functional Hybrid Materials via Sol–Gel Processing: Design and Properties

edited by

Erika Andrea Levei

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2263 | Submission Open

Keywords: sol– gel synthesis; hybrid materials; biomedicine; encapsulation of biomolecules; catalysis; magnetic behavior; structural properties; thermal behavior

(This special issue belongs to the Section Materials Chemistry)

Research on Functional Active Ingredients of Edible Fungi

edited by Tianqiao Yong,

Jia Song

and

Zhaojun Wei

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2185 | Submission Open

Keywords: fungi; compounds; biological activities; uric acid; metabolism; diabetes; cancer; virus

(This special issue belongs to the Section Food Chemistry)

Recent Advances in Organochalcogen Chemistry

edited by

Francesca Mangiavacchi

Damiano Tanini

and

Claudio Santi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 2172 | Submission Open

Keywords: sulfur; selenium; tellurium; chalcogen bond; materials science; synthetic methodologies; catalysis; heterocycles; biomimetics

(This special issue belongs to the Section Organic Chemistry)

Nanomaterials in Photochemical Devices: Advances and Applications

edited by

Braulio García-Cámara

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2136 | Submission Open

Keywords: nanomaterials; photochemistry; photocatalysis; nanoparticles; energy conversion; environmental remediation; biomedical applications; photoacoustic imaging

(This special issue belongs to the Section Photochemistry)

Advances in Extraction, Biological Activity of Natural Products and Their Derivatives

edited by Ernesto Santoro and

Antonio Evidente

submission deadline 31 Dec 2025 | 3 articles | Viewed by 2090 | Submission Open

Keywords: novel extraction; absolute configuration; supercritical fluid; microwave-assisted extraction; natural products

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

New Horizons in Heterogeneous Catalysts: From Design to Applications

edited by

Xingkun Chen

Yuan Tan

and Ziang Zhao

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2074 | Submission Open

Keywords: single-atom catalyst; nanocatalyst; heterogeneous catalyst; CO2; ester; alcohol; green chemistry

(This special issue belongs to the Section Green Chemistry)

Molecular Approaches to Drug Design: From Target Identification to Delivery

edited by

Michio Kurosu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2050 | Submission Open

Keywords: drug design; target identification; drug delivery; protein-based therapeutics; targeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

Ab Initio Multireference Quantum Chemical Investigations of Molecules: Chemical Bonding, Spectroscopy, and Beyond

edited by Isuru R. Ariyarathna

submission deadline 31 Dec 2025 | 2 articles | Viewed by 2011 | Submission Open

Keywords: quantum chemistry; ab initio multireference methods; spectroscopy; chemical bonding; transition metals; lanthanides; actinides

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

NUCLEO-OMICS24

edited by

Giovanni N. Roviello

and

Valentina Mittova

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1980 | 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)

Advances in Electrochemical Nanocomposites

edited by

Bishweshwar Pant

and

Gunendra Prasad Ojha

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1963 | Submission Open

Keywords: nanomaterials; nanocomposites; electrocatalysis; electrochemical properties

(This special issue belongs to the Section Applied Chemistry)

Design and Application Based on Versatile Nano-Composites: Second Edition

edited by

Jingang Yu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1932 | Submission Open

Keywords: nanoparticles; nanosheets; composites; preparation; application

(This special issue belongs to the Section Nanochemistry)

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 1913 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

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 1820 | Submission Open

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

(This special issue belongs to the Section Bioorganic Chemistry)

Advances in European Medicinal Chemistry

edited by

Jorge A. R. Salvador

and

Thomas Mavromoustakos

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1723 | 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)

Ionic Liquids and Molecular Materials: Advances in Functional Interfaces and Applications

edited by

José C. S. Costa

and

Yuji Matsumoto

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1704 | Submission Open

Keywords: ionic fluids; bulk properties; surface and interfacial properties; thin films; vacuum engineering; energy harvesting and storage; functional materials

(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 1655 | 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)

Determination of Trace Heavy Metals and Metalloids in Environmental and Food Samples, 3rd Edition

edited by

and Claude F. Boutron

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1590 | Submission Open

Keywords: environmental analytical chemistry; food analytical methods; trace heavy metals and metalloids; chemical speciation; instrumental analysis; new analytical methods and techniques; sample pre-treatment; extreme environments; reviews; emerging environmental issues; emerging food issues; food and “ novel foods” ; insects; climate change and biogeochemical cycles of trace heavy metal(loid)s

(This special issue belongs to the Section Analytical Chemistry)

Spectroscopic Insights into Innovative Materials

edited by Waldeci Paraguassu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1587 | Submission Open

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

(This special issue belongs to the Section Physical 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 1585 | 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)

Chemopreventive Activity of Natural Products

edited by

Dimitrios Stagos

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1559 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Identification, Isolation, and Analysis of Phytochemicals from Plant-Derived Products

edited by

Lin Shi

and

Lu Yang

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1405 | Submission Open

Keywords: phytochemicals; structural identification; composition analysis; plant products; pharmacological experiment; herbal medicine

(This special issue belongs to the Section Natural Products 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 1396 | 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)

Enzyme Inhibitors: Design, Synthesis and Biological Evaluation—3rd Edition

edited by

Letizia Crocetti

and

Maris Cinelli

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1352 | Submission Open

Keywords: enzyme inhibitors; drug design; organic synthesis; biological evaluation; molecular modeling studies; kinetic experiment

(This special issue belongs to the Section Chemical Biology)

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 1347 | 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 1245 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

Degradation of Aromatic Compounds in the Environment

edited by

Urszula Guzik

and

Wojciech Smułek

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1183 | Submission Open

Keywords: aromatic compounds; microorganisms; biodegradation; biotransformation; advanced oxidation processes

(This special issue belongs to the Section Organic Chemistry)

Analysis of Pesticide Residues in Food and Environmental Samples

edited by

Xu Jing

and Xueke Liu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1165 | 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)

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 1164 | Submission Open

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

(This special issue belongs to the Section Electrochemistry)

The Role of Cannabinoids in Human Health

edited by

Christian Lehmann

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1123 | Submission Open

Keywords: cannabinoids; synthetic cannabinoids; human health

(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 1085 | 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)

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 999 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

Development of Computational Approaches in Chemical Biology

edited by

Jinyu Li

, Dianyong Tang and Yichang Liu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 995 | Submission Open

Keywords: computational chemical biology; molecular modeling; molecular dynamics simulations; AI in drug discovery; protein– ligand interactions; protein design; biological networks; multi-omics integration

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

Recent Advances in Antibacterial Nanomaterials

edited by

Luca Scotti

submission deadline 31 Dec 2025 | 1 articles | Viewed by 931 | Submission Open

Keywords: nanoparticles; biochemistry; antibacterial; bacteriostatic; cell membrane

(This special issue belongs to the Section Nanochemistry)

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 922 | 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)

Epoxy Resin Synthesis, Performance and Application Research: Second Edition

edited by

Jin Li

submission deadline 31 Dec 2025 | 1 articles | Viewed by 900 | 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)

Displaying special issue 201-250 on page 5 of 23.

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