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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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Next-Generation Proteomics: Methods, Technologies, and Translational Opportunities

edited by

Goran Mitulović

submission deadline 30 Nov 2026 | Viewed by 174 | Submission Open

Keywords: proteomics; mass spectrometry; protein identification; quantitative proteomics; bioinformatics; analytical techniques; single-cell proteomics; metaproteomics

(This special issue belongs to the Section Chemical Biology)

Basic and Functional Properties of Biopolymer-Based Systems

edited by

Joanna Kruk

and

Michał Pancerz

submission deadline 30 Nov 2026 | Viewed by 172 | Submission Open

Keywords: edible biopolymers; cosmetics; biopolymer films and coatings; gels; emulsions; biopolymer interactions; functional properties; basic characteristics

(This special issue belongs to the Section Macromolecular Chemistry)

Targeted Therapy for Cancer: Recent Advances in Inhibitors and Degraders

edited by

Hongyi Zhao

submission deadline 30 Nov 2026 | Viewed by 164 | Submission Open

Keywords: targeted cancer therapy; drug discovery; drug delivery; small-molecule inhibitors; protein targeting degrader; targeted protein degradation technology; drug resistance; structure-based drug design; precision oncology; combination therapy

(This special issue belongs to the Section Medicinal Chemistry)

Wood-Based Composite Materials

edited by

Grzegorz Kowaluk

submission deadline 30 Nov 2026 | Viewed by 161 | Submission Open

Keywords: wood-based composites; lignocellulosic polymers; materials chemistry; bio-based adhesives; lignin; cellulose modification; nanocellulose; hybrid materials; interfacial interactions; polymer–wood composites

(This special issue belongs to the Section Materials Chemistry)

DNA Nanotechnology: From Molecular Assembly to Functional Systems

edited by Masayuki Endo and

Akinori Kuzuya

submission deadline 30 Nov 2026 | Viewed by 160 | Submission Open

Keywords: DNA nanotechnology; DNA origami; DNA computing; self-assembly; supramolecular chemistry; molecular robotics

(This special issue belongs to the Section Nanochemistry)

Wastewater Treatment: Functional Materials and Advanced Technology, 3rd Edition

edited by

Jingtao Bi

and

Panpan Zhang

submission deadline 30 Nov 2026 | Viewed by 159 | Submission Open

Keywords: wastewater treatment; emerging contaminants; functional materials; contaminant probing; adsorption AOPs; catalysis; membrane separation

(This special issue belongs to the Section Applied Chemistry)

Development and Application of Agricultural Biostimulants

edited by

Rafał Kukawka

submission deadline 30 Nov 2026 | Viewed by 154 | Submission Open

Keywords: agricultural biostimulants; bioactive compounds; design and synthesis; structure–activity relationships; chemical characterization; metabolite profiling; natural compounds; green chemistry

Functional Foods: Chemistry, Processing, Bioavailability in Health Promotion

edited by Wiktor Berski and Marek Kruczek

submission deadline 30 Nov 2026 | Viewed by 154 | Submission Open

Keywords: functional foods; bioactive compounds; food matrix; food processing; bioavailability and metabolism; gut microbiome interactions; oxidative stress

(This special issue belongs to the Section Food Chemistry)

Neuroreceptors in Medicinal Chemistry: Opioid Receptors and Beyond

edited by

Agnieszka Sulima

, Szabolcs Dvoracsko and Joshua Lutz

submission deadline 30 Nov 2026 | Viewed by 153 | Submission Open

Keywords: neuroreceptors; g-protein coupled receptors; central nervous system; drug discovery; medicinal chemistry; structure–activity relationship (sar); opioids; biased agonism; low intrinsic efficacy ligands; allosteric modulators; computational medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Self-Healing Polymers

edited by

Zenghui Yang

and

Xiaoyue Wang

submission deadline 30 Nov 2026 | Viewed by 146 | Submission Open

Keywords: self-healing polymers; dynamic covalent chemistry; supramolecular interactions; vitrimers; healing kinetics; multi-stimuli responsiveness; structure–property–healing relationship

(This special issue belongs to the Section Materials Chemistry)

Supercapacitors and Hybrid Energy Storage Systems

edited by Jinghao Huo and

Guijing Liu

submission deadline 30 Nov 2026 | Viewed by 145 | Submission Open

Keywords: supercapacitors; hybrid energy storage systems; electrode materials; electrolytes; energy storage mechanism; electrochemical energy storage

(This special issue belongs to the Section Electrochemistry)

Real-World Challenges for Perovskite Materials and Corresponding Solar Cells

edited by

Xiang-bin Han

submission deadline 30 Nov 2026 | Viewed by 144 | Submission Open

Keywords: perovskite structures; photovoltaics; photodetection; photoluminescence; nonlinear optics; stability

(This special issue belongs to the Section Materials Chemistry)

Exploring Ligand-DNA Interactions: Spectroscopic and Crystallographic Insights

edited by

Bidisha Sengupta

submission deadline 30 Nov 2026 | Viewed by 144 | Submission Open

Keywords: structure–activity relationship; drug design; anticancer agents; fluorescence; circular dichroism; NMR; noncanonical DNA; X-ray crystallography

(This special issue belongs to the Section Chemical Biology)

Nanostructured Graphene-Based Composites for Advanced Electrochemical Energy Storage Systems

edited by

Adam Moyseowicz

submission deadline 30 Nov 2026 | Viewed by 143 | Submission Open

Keywords: supercapacitor; graphene-based materials; Na-ion batteries, composites; transition metal compounds; aqueous batteries; hybrid capacitors

(This special issue belongs to the Section Nanochemistry)

Gas-Phase Molecular Spectroscopy

edited by

Vincent Boudon

submission deadline 30 Nov 2026 | Viewed by 141 | Submission Open

Keywords: high-resolution molecular spectra; high-resolution experimental techniques; theory of molecular spectra; theory of molecular structure; effective Hamiltonians; quantum chemistry calculations; atmospheric applications; astrophysical applications

(This special issue belongs to the Section Cross-Field Chemistry)

Modern Perspectives on Non-Covalent Interactions in Molecular Systems

edited by

Sheng-Der Chao

submission deadline 30 Nov 2026 | Viewed by 140 | Submission Open

Keywords: datasets of non-covalent interactions; high-level electron correlation calculations; density functional theory; machine learning techniques; molecular self-assembly; van der Waals complexes; REMPI and hole burning spectroscopy; electronic excited and ionic states; surface adsorption, diffusion, and reaction; vibration rotation tunneling spectroscopy; ZEKE spectroscopy

(This special issue belongs to the Section Physical Chemistry)

Green Analytical Chemistry: Advanced Separation and Analysis Techniques

edited by

María Carolina Talio

and Liliana Patricia Fernández

submission deadline 30 Nov 2026 | Viewed by 139 | Submission Open

Keywords: green chemistry; separation techniques; sensors; emerging contaminants; molecular spectroscopies; biological and environmental samples; atomic spectroscopies

(This special issue belongs to the Section Analytical Chemistry)

Advances in the Research of Perovskite Solar Cells

edited by Teng Zhang and

Jiankun Sun

submission deadline 30 Nov 2026 | Viewed by 138 | Submission Open

Keywords: perovskite solar cells; crystallization regulation; nucleation kinetics; defect passivation; scalable fabrication; crystallization mechanism

(This special issue belongs to the Section Materials Chemistry)

Bioactive Compounds from Plants: From Discovery to Biomedical Application

edited by

Dimitrios Stagos

submission deadline 30 Nov 2026 | Viewed by 135 | Submission Open

Keywords: plant bioactive extracts; plant by-products; bioactive compounds; phytochemicals; extraction; biomedical applications

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

Chemical Design and Functional Properties of Ferroelectric and Multiferroic Materials

edited by

Dana Georgeta Popescu

submission deadline 30 Nov 2026 | Viewed by 130 | Submission Open

Keywords: ferroelectric materials; chemical design; polarization switching; defect engineering; thin films; heterostructures; energy storage; functional oxides

(This special issue belongs to the Section Materials Chemistry)

Deep Learning for Bioinformatics Application

edited by

Lantian Yao

submission deadline 30 Nov 2026 | Viewed by 111 | Submission Open

Keywords: deep learning; artificial neural networks; graph neural networks; representation learning; generative models; structural bioinformatics; molecular computing; protein structure prediction; drug discovery

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

Harnessing Nature’s Chemical Diversity: Innovations in Isolation, Identification, and Synthesis—2nd Edition

edited by Niko Radulović and

Marko Z. Mladenović

submission deadline 30 Nov 2026 | Viewed by 108 | Submission Open

Keywords: natural product chemistry; phytochemistry and essential oils; isolation and structural elucidation; chromatographic techniques (GC, HPLC, etc.); mass spectrometry (GC-MS, LC-MS, etc.); NMR spectroscopy; analytical chemistry; synthetic and semi-synthetic methods; bioactive compounds and biological activity; medicinal and aromatic plants; chemotaxonomy; chemical ecology and plant defense mechanisms; biotechnological applications; structure–activity relationships (SAR); biomimetic synthesis

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

Physicochemical and Thermodynamic Aspects of Advanced Materials

edited by

Florina Teodorescu

submission deadline 30 Nov 2026 | Viewed by 106 | Submission Open

Keywords: nanomaterials; surface functionalization; thermodynamic properties; drug delivery; stimuli-responsive systems; biomolecular interactions; biointerface interactions

(This special issue belongs to the Section Physical Chemistry)

Functional Materials for Gas Separation and Water Treatment

edited by

Heng Mao

submission deadline 30 Nov 2026 | Viewed by 93 | Submission Open

Keywords: adsorption materials and processes; catalytic degradation and conversion; membrane separation; advanced porous frameworks (MOFs, COFs, HOFs, zeolites); materials synthesis and functionalization; pore architecture and molecular design; artificial intelligence for material discovery

(This special issue belongs to the Section Applied Chemistry)

Coumarin-Based Compounds as Multifunctional Anticancer Agents

edited by

Musiliyu A. Musa

submission deadline 30 Nov 2026 | Viewed by 56 | Submission Open

Keywords: coumarin; anticancer agents; apoptosis; multitargeting; natural products; drug discovery; in vivo models; structure–activity relationship

(This special issue belongs to the Section Medicinal Chemistry)

Terpenes, Steroids and Their Derivatives, 3rd Edition

edited by

Pavel B. Drasar

submission deadline 1 Dec 2026 | Viewed by 424 | Submission Open

Keywords: terpene and steroid chemistry, biochemistry, repurposing, and practical utilization; terpene and steroid derivative synthesis; isolation and analysis of terpenes and steroids; terpene and steroid medicinal, as well as cosmetic, utilization; fluorescent labelling; bio-imaging

Next-Generation Methods for Pesticide Residue Detection

edited by

Xu Jing

and

Haijuan Jiang

submission deadline 1 Dec 2026 | Viewed by 240 | Submission Open

Keywords: pesticide residue analysis; advanced detection techniques; food and environmental safety; sample pretreatment; microextraction techniques; green analytical chemistry

(This special issue belongs to the Section Analytical Chemistry)

Design and Application of Luminescent Compounds

edited by

Alessia Colombo

Claudia Dragonetti

and

Francesco Fagnani

submission deadline 10 Dec 2026 | Viewed by 263 | Submission Open

Keywords: luminescent compounds; molecular design; photophysical properties; structure–property relationships; coordination complexes; functional materials; optical application

(This special issue belongs to the Section Photochemistry)

Design, Synthesis, and Theoretical Studies of Enzyme Inhibitors

edited by

Nahit Gençer

and

Muhammed Tilahun Muhammed

submission deadline 14 Dec 2026 | 2 articles | Viewed by 6611 | Submission Open

Keywords: enzyme inhibitors; molecular docking; drug discovery

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Components in Plants: Extraction, Characterization and Antioxidant Activity

edited by

Maria Celeiro

submission deadline 15 Dec 2026 | 1 articles | Viewed by 1819 | Submission Open

Keywords: bioactive compounds; plant extracts; extraction of bioactives; polyphenols; chemical characterization; antioxidant activity; green chemistry

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

NMR Spectroscopy in Medical Diagnosis and Precision Medicine: Current Trends and Future Directions

edited by

Nataša Avramović

and

Joao Guilherme de Moraes Pontes

submission deadline 15 Dec 2026 | Viewed by 705 | Submission Open

Keywords: NMR spectroscopy; metabolomics; lipidomics; biomarkers; medical diagnosis; precision medicine

(This special issue belongs to the Section Applied Chemistry)

Biologically Active Nitrogen-Containing Heterocyclic Compounds

edited by

Monika Wujec

and Sara Janowska

submission deadline 15 Dec 2026 | Viewed by 352 | Submission Open

Keywords: nitrogen-containing heterocyclic compounds; biological activity; drug design; molecular docking; synthesis; structure–activity relationship (SAR); medicinal chemistry; bioactive molecule

(This special issue belongs to the Section Medicinal Chemistry)

Bioactive Compounds and Biological Activity of Plants from the Cerrado and Amazon

edited by Paula Becker Pertuzatti,

Milene Teixeira Barcia

and Julia Teixeira De Paula

submission deadline 15 Dec 2026 | Viewed by 349 | Submission Open

Keywords: Cerrado plants; Amazon plants; natural products; sustainable biodiversity; health benefits; extraction and characterization

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

Featured Review Papers in Green Chemistry

edited by

M. Gilles Mailhot

submission deadline 15 Dec 2026 | Viewed by 296 | Submission Open

Keywords: green catalysts; green extraction and processing; chemistry based on natural products; bio-based solvents with sub- and super-critical fluids; microwave and ultrasound; organic reaction in green solvents; bioconversion of biomass and sustainable biomaterials; creating fine chemicals and polymers from renewable resources; green nanotechnology; green analytical chemistry; green degradation process

(This special issue belongs to the Section Green Chemistry)

Perovskite-Based Mixed Oxide Catalysts for Environmental and Industrial Applications

edited by

María-José Illán-Gómez

and

Álvaro Díaz Verde

submission deadline 15 Dec 2026 | Viewed by 90 | Submission Open

Keywords: perovskite-type materials; heterogeneous catalysis; environmental remediation; energy conversion and storage

(This special issue belongs to the Section Materials Chemistry)

Oxidative Stress and Cancer Therapy: Molecular Mechanisms, Drug Delivery, and Therapeutic Response

edited by

Julita Kulbacka

submission deadline 16 Dec 2026 | 1 articles | Viewed by 996 | Submission Open

Keywords: oxidative stress; reactive oxygen species; ROS; cancer therapy; anticancer agents; lipid peroxidation; ferroptosis; chemoresistance; drug resistance; antioxidant defense; redox signaling; redox homeostasis; drug delivery; nanomedicine; targeted delivery; combination therapy; immunogenic cell death; redox active compounds; natural products; therapeutic response

(This special issue belongs to the Section Chemical Biology)

Bioactive Natural Products: The Potential Sources of New Drugs

edited by

Sanah Nkadimeng

and

Gerda Fouchè

submission deadline 20 Dec 2026 | 3 articles | Viewed by 4376 | Submission Open

Keywords: bioactive natural compounds; chemical characterization and optimization; bioactive natural products’ safety; cytotoxicity; bioactive natural products’ mechanisms of action; biological activities in vitro and in vivo; chronic diseases; bioactive natural product in non-communicable diseases-chronic inflammation/chronic stress/drug discovery/anticancer

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

Characterization of Organic Ligands: Correlations Between Results by Electrochemistry and Other Methods

edited by Eleonora-Mihaela Ungureanu

submission deadline 20 Dec 2026 | 1 articles | Viewed by 1393 | Submission Open

Keywords: connections; electrochemical experiments; characterization of organic ligands; DFT calculations of ligand properties; optical methods; electrochemical methods; surface characterization methods (SEM, AFM, Raman, etc.); analytical methods

(This special issue belongs to the Section Applied Chemistry)

Elemental Analysis and Determination for Food and Environmental Samples

edited by Kelly das Graças Fernandes Dantas and

João B. Pereira-Júnior

submission deadline 20 Dec 2026 | 1 articles | Viewed by 873 | Submission Open

Keywords: spectroanalytical techniques; mineral composition; sample preparation; essential elements; toxic elements; food safety; nutritional analysis; environmental monitoring

(This special issue belongs to the Section Analytical Chemistry)

AI in Materials Design and Discovery

edited by Guanjie Wang

submission deadline 20 Dec 2026 | 1 articles | Viewed by 770 | Submission Open

Keywords: materials informatics; materials large language model and agent; explainable machine learning; computational materials science; high-throughput screening; molecules inverse design; structure–property relationships; data-driven discovery

(This special issue belongs to the Section Materials Chemistry)

Terpenoids: Chemistry, Structural Diversity, and Biological Activities

edited by

Nunziatina De Tommasi

and Valentina Parisi

submission deadline 20 Dec 2026 | Viewed by 183 | Submission Open

Keywords: terpenoids; chemical diversity; specialised metabolites; drug discovery; plant-derived compounds; biological activity; biotechnology; metabolomics

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

Rare Earth Materials: From Design to Applications

edited by Meng Ju

submission deadline 20 Dec 2026 | Viewed by 182 | Submission Open

Keywords: rare earth; crystal structure; spectral characteristic; luminescence; energy conversion; electronic properties; optical communications

(This special issue belongs to the Section Applied Chemistry)

Functional Supramolecular Gels: Design, Dynamics, and Applications

edited by

Francesca D’Anna

and

Salvatore Marullo

submission deadline 20 Dec 2026 | Viewed by 163 | Submission Open

Keywords: hydrogels; organogels; ionogels; hybrid supramolecular gels; gel properties; gel applications

(This special issue belongs to the Section Materials Chemistry)

Nanomaterials in Photochemical Devices: Advances and Applications

edited by

Braulio García-Cámara

submission deadline 30 Dec 2026 | 3 articles | Viewed by 4946 | Submission Open

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

(This special issue belongs to the Section Photochemistry)

Advancement in Natural and Novel Antimicrobial Agents

edited by

Emel Mataracı-Kara

submission deadline 30 Dec 2026 | 3 articles | Viewed by 1489 | Submission Open

Keywords: bacterial priority list; antimicrobial resistance; natural compounds; novel antibacterial agents; synthetic antimicrobial compounds; extraction; synthesis; antimicrobial activity

(This special issue belongs to the Section Medicinal Chemistry)

Recent Research Advances in Green Extraction of Natural Products

edited by

Maryline Abert-Vian

and

Anne-Sylvie Fabiano-Tixier

submission deadline 30 Dec 2026 | 1 articles | Viewed by 754 | Submission Open

Keywords: sustainable chemistry; natural products; bio-based solvents; process intensification; sustainable extraction technologies; biomass valorization

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

Phenolic Composition and Antioxidant Activity of Natural Products

edited by

María Pilar Gómez-Serranillos

and

Alfredo Torres-Benítez

submission deadline 30 Dec 2026 | 1 articles | Viewed by 702 | Submission Open

Keywords: metabolomics; extracts; phenolic compounds; antioxidants; plants; fungi; lichens; phytotherapy

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

Ab-Initio Molecular Dynamics Studies of Chemical Reactions in the Gas Phase, Condensed Phases and Interfaces

edited by Robert Benny Gerber and Imon Mandal

submission deadline 30 Dec 2026 | 1 articles | Viewed by 605 | Submission Open

Keywords: ab initio molecular dynamics; chemical reactions; reaction mechanism and dynamics; potential energy surfaces; trajectories

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

Bioactive Ingredients in Foods: Delivery, Stabilization, and Functionality

edited by

Marta Igual Ramo

and

Liliana Patricia Acurio Arcos

submission deadline 30 Dec 2026 | Viewed by 275 | Submission Open

Keywords: antioxidant capacity; bioactive compounds; bioactive nutrients; carotenoids; food matrix; functional food; health benefits; natural sources; phytochemicals; polyphenols

(This special issue belongs to the Section Food Chemistry)

Advanced Techniques for the Chemical Analysis and Removal of Environmental Pollutants

edited by Anca-Iulia Stoica

submission deadline 30 Dec 2026 | Viewed by 135 | Submission Open

Keywords: pollutant monitoring; emerging contaminants; advanced techniques; removal of pollutants; eco-friendly treatments; nature-based solutions; environmental management

Displaying special issue 751-800 on page 16 of 28.

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