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

edited by

Jingang Yu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1717 | Submission Open

Keywords: nanoparticles; nanosheets; composites; preparation; application

(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 | 2 articles | Viewed by 1696 | 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)

Molecular Approaches to Drug Design: From Target Identification to Delivery

edited by

Michio Kurosu

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1669 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Biological Evaluation of Plant Extracts

edited by

Rumyana Simeonova

submission deadline 31 Dec 2025 | 3 articles | Viewed by 1616 | Submission Open

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

(This special issue belongs to the Section Natural Products 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 1598 | Submission Open

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

(This special issue belongs to the Section Bioorganic Chemistry)

Organometallic Chemistry in Europe

edited by

Gianpiero Cera

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1592 | 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)

Advances in European Medicinal Chemistry

edited by

Jorge A. R. Salvador

and

Thomas Mavromoustakos

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1576 | 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)

Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 3rd Edition

edited by

Luís Passarinha

Eugenia Gallardo

and

Mário Barroso

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1508 | Submission Open

Keywords: analytical and bioanalytical methods; chemistry; drugs; toxic compounds; biomarkers; sample preparation; life quality; sustainability

(This special issue belongs to the Section Analytical Chemistry)

Pharmaceuticals in the Environment: Micropollutants and Degradation Dynamics

edited by Agnieszka Nowak and

Urszula Guzik

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1498 | Submission Open

Keywords: pharmaceuticals; microorganisms; toxicity; micropollutants; biodegradation; biotransformation; advanced oxidation processes; analysis; intermediate identification; chromatography

(This special issue belongs to the Section Green 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 1497 | 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)

Chemopreventive Activity of Natural Products

edited by

Dimitrios Stagos

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1469 | Submission Open

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

(This special issue belongs to the Section Medicinal Chemistry)

Spectroscopic Insights into Innovative Materials

edited by Waldeci Paraguassu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1469 | Submission Open

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

(This special issue belongs to the Section Physical Chemistry)

30th Anniversary of Molecules—Recent Advances in Food Chemistry

edited by

Ana Novo Barros

and Marta Coelho

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1457 | Submission Open

Keywords: functional foods; nutraceuticals; bioactive compounds; analytical techniques; by-products; food chemistry

(This special issue belongs to the Section Food Chemistry)

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

edited by Ernesto Santoro and

Antonio Evidente

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1412 | Submission Open

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

(This special issue belongs to the Section Natural Products 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 1390 | 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)

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 1313 | 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)

Unveiling the Applications of Bioactive Compounds in Functional Foods for Optimal Human Health—2nd Edition

edited by

Xiangkai Li

and

Aman Khan

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1304 | Submission Open

Keywords: functional foods; bioactive ingredients; health benefits; immune function; gut health; disease prevention

(This special issue belongs to the Section Food 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 1301 | 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)

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 1275 | 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 1247 | 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)

Recent Advances in Flame Retardant Polymeric Materials, 2nd Edition

edited by

Chao Ma

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1175 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

30th Anniversary of the MOF Concept

edited by

Jun Liang

and

Christoph Janiak

submission deadline 31 Dec 2025 | 2 articles | Viewed by 1148 | Submission Open

Keywords: metal– organic frameworks; gas storage and separation; catalysis; drug delivery; sensing and detection; energy applications

(This special issue belongs to the Section Organometallic 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 1078 | Submission Open

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

(This special issue belongs to the Section Electrochemistry)

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 1062 | Submission Open

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

(This special issue belongs to the Section Natural Products 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 1058 | 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)

Degradation of Aromatic Compounds in the Environment

edited by

Urszula Guzik

and

Wojciech Smułek

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1052 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

The Role of Cannabinoids in Human Health

edited by

Christian Lehmann

submission deadline 31 Dec 2025 | 1 articles | Viewed by 1046 | Submission Open

Keywords: cannabinoids; synthetic cannabinoids; human health

(This special issue belongs to the Section Medicinal Chemistry)

Anti-Aging and Skin Rejuvenation Ingredients: Design and Research

edited by

Anca Maria Juncan

Luca-Liviu Rus

and Daniela Lucia Muntean

submission deadline 31 Dec 2025 | 1 articles | Viewed by 955 | Submission Open

Keywords: anti-aging ingredients; skin rejuvenation; nutricosmetics and cosmeceuticals; bioactive compounds; formulation and delivery systems; extracellular matrix and skin biology; in silico; in vitro and in vivo assessment

(This special issue belongs to the Section Applied 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 923 | 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 Antibacterial Nanomaterials

edited by

Luca Scotti

submission deadline 31 Dec 2025 | 1 articles | Viewed by 824 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

Epoxy Resin Synthesis, Performance and Application Research: Second Edition

edited by

Jin Li

submission deadline 31 Dec 2025 | 1 articles | Viewed by 823 | 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)

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 759 | 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)

Recent Advances in Peptide Assembly and Bioactivity

edited by

Wen Li

submission deadline 31 Dec 2025 | 1 articles | Viewed by 730 | Submission Open

Keywords: peptide; self-assembly; co-assembly; stimuli-responsive; bioactivity; biomaterials

(This special issue belongs to the Section Bioorganic 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 681 | 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 678 | 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 635 | 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)

Nanoparticles for Environmental Applications

edited by

Marija B. Radoičić

submission deadline 31 Dec 2025 | 1 articles | Viewed by 613 | Submission Open

Keywords: environmental nanotechnology; water treatment; remediation; nanoparticles; pollution control; EMI shielding; ecotoxicology; green chemistry

(This special issue belongs to the Section Materials Chemistry)

Development of Computational Approaches in Chemical Biology

edited by

Jinyu Li

, Dianyong Tang and Yichang Liu

submission deadline 31 Dec 2025 | 1 articles | Viewed by 601 | 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)

New Materials for Gas Capture and Conversion

edited by Jie Xu and Yuandong Yang

submission deadline 31 Dec 2025 | 1 articles | Viewed by 594 | Submission Open

Keywords: gas capture; gas conversion; novel sorbents; efficient catalysts; kinetic modelling; thermodynamic analysis; process simulation

(This special issue belongs to the Section Materials Chemistry)

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

edited by

Paolo Coghi

submission deadline 31 Dec 2025 | 1 articles | Viewed by 591 | 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)

Silymarin and Derivatives: From Biosynthesis to Health Benefits 2.0

edited by

Dominique Delmas

submission deadline 31 Dec 2025 | Viewed by 586 | Submission Open

Keywords: silymarin: sources and biosynthesis; secondary metabolites and silymarin derivatives; silymarin bioavailability; silymarin and cardiovascular diseases; silymarin and metabolic syndrome; silymarin and cancer; silymarin and inflammation and immune diseases; silymarin and degenerative age-related diseases

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

Selectivity and Theoretical Studies of Cycloaddition Reactions

edited by

Radomir Jasiński

Agnieszka Łapczuk

and Ewa Dresler

submission deadline 31 Dec 2025 | 1 articles | Viewed by 542 | Submission Open

Keywords: cycloaddition; selectivity; density functional theory (DFT); reaction mechanisms; catalysis; stereocontrol

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

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 532 | Submission Open

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

(This special issue belongs to the Section Green Chemistry)

Peptide Chemistry: Recent Trends and Advancements

edited by Fa-Jie Chen and

Alicja Kluczyk

submission deadline 31 Dec 2025 | Viewed by 531 | 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)

Advances in Energetic Materials and Associated Detection Methods

edited by

Tomasz Jarosz

and Karolina Głosz

submission deadline 31 Dec 2025 | 1 articles | Viewed by 521 | Submission Open

Keywords: energetic materials; detection; sensors; fumes; risk assessment

(This special issue belongs to the Section Applied Chemistry)

Microwave-Assisted Rapid Preparation and Processing of Nanostructured Materials and Their Applications

edited by

Ying-Jie Zhu

and Hanping Yu

submission deadline 31 Dec 2025 | Viewed by 457 | Submission Open

Keywords: microwave; synthesis; preparation; processing; nanostructured materials; nanomaterials; nanostructures; application

(This special issue belongs to the Section Microwave Chemistry)

Multifunctional Electrocatalysts for Overall Water Splitting

edited by Haeseong Jang

submission deadline 31 Dec 2025 | Viewed by 449 | Submission Open

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

(This special issue belongs to the Section Electrochemistry)

Computational Chemistry Approach for Materials Design

edited by

Tianwei He

and Lei Zhang

submission deadline 31 Dec 2025 | Viewed by 399 | Submission Open

Keywords: computational materials; catalysts; DFT calculation; machine learning; energy conversion and storage materials

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

Synthesis, Properties, and Applications of Chiral Molecules

edited by José Luis Olivares-Romero

submission deadline 31 Dec 2025 | 1 articles | Viewed by 370 | 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)

Recent Advances on Biomass Conversion and CO₂ Valorization: Steeping Towards a Circular Economy, 2nd Edition

edited by