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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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C-H Bond Functionalization of Heterocyclic Compounds

edited by

Dong Wang

submission deadline 30 Apr 2026 | Viewed by 466 | Submission Open

Keywords: heterocycles; C-H activation; transition metal catalysis; site-selectivity; sustainable synthesis; photoredox chemistry; electrochemical functionalization; biologically active molecules

(This special issue belongs to the Section Organic Chemistry)

Conjugated Polymer-Based Materials: Synthesis, Characterization, and Applications

edited by

Bruno Schmaltz

and Nicolas Berton

submission deadline 30 Apr 2026 | Viewed by 415 | Submission Open

Keywords: conjugated polymers; synthesis; characterization; functional π -conjugated materials; conducting materials; organic electronics; organic electrode materials

(This special issue belongs to the Section Materials Chemistry)

New Perspective on Polysaccharides: From Isolation to Biological Evaluation

edited by

Peng Lei

and Zhiqiang Xiong

submission deadline 30 Apr 2026 | Viewed by 324 | Submission Open

Keywords: extraction methodology; separation technology; bioactivities; biological evaluation; polysaccharides

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

Advances in Modeling and Simulation of Biomolecules

edited by

Haiyang Zhang

submission deadline 30 Apr 2026 | Viewed by 295 | Submission Open

Keywords: molecular dynamics simulations; model parameterization; protein structure and function; protein– ligand interactions; computer-aided drug design; biomolecular association and assembly

(This special issue belongs to the Section Physical Chemistry)

Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications, 2nd Edition

edited by

Maria Novella Romanelli

submission deadline 30 Apr 2026 | Viewed by 262 | Submission Open

Keywords: medicinal chemistry; heterocycles; organic synthesis; natural products; pharmacophore; artificial intelligence; CNS drugs; antibacterial agents; antiviral drugs; anticancer agents; enzyme modulators; receptor modulators; ion channel modulators

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Design of Nanocomposite Materials for Enhanced Electrochemical Performance

edited by

Panpan Dong

and Xingxing Jiao

submission deadline 30 Apr 2026 | Viewed by 256 | Submission Open

Keywords: nanocomposite materials; electrochemical properties; lithium batteries; solid-state electrolytes; interfacial electrochemistry; ionic conductivity; electrode design; theoretical calculations

(This special issue belongs to the Section Electrochemistry)

Design, Synthesis and Biological Activity of Novel Antitumor Drugs, 2nd Edition

edited by

Alessia Bertamino

and

Tania Ciaglia

submission deadline 30 Apr 2026 | Viewed by 239 | Submission Open

Keywords: novel target; anticancer; small molecules; biological evaluation; synthesis; activity assay; molecular modeling

(This special issue belongs to the Section Medicinal Chemistry)

Research on Crystal Structures of Metal Complexes

edited by

Takashiro Akitsu

submission deadline 30 Apr 2026 | Viewed by 231 | Submission Open

Keywords: coordination chemistry; metal complexes; organic ligands; crystal structure analysis; structural chemistry

(This special issue belongs to the Section Inorganic Chemistry)

Nanochemistry in Asia

edited by Lei Huang and

Feng Hu

submission deadline 30 Apr 2026 | 1 articles | Viewed by 226 | Submission Open

Keywords: nanochemistry; nanomaterials; nanomedicine; nanotoxicity; nanocatalysis

(This special issue belongs to the Section Nanochemistry)

Novel Antiparasitic Molecules for Neglected Tropical Diseases

edited by

Carlos Monteiro

submission deadline 30 Apr 2026 | Viewed by 212 | Submission Open

Keywords: neglected tropical diseases; antiparasitic agents; drug design and discovery; structure– activity relationships; drug resistance

(This special issue belongs to the Section Medicinal Chemistry)

Computational and Experimental Research on Materials for Environmental Applications

edited by

Sanja J. Armakovic

, Stevan Armaković and

Maria M. Savanović

submission deadline 30 Apr 2026 | Viewed by 165 | Submission Open

Keywords: environmental materials; DFT and MD simulations; wavefunction-based calculations; computational modeling; machine learning in materials science; data-driven materials design; environmental remediation; pollutant removal; nanomaterials; composite materials; hybrid computational– experimental studies

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

Radiochemistry: Present Status and Future Perspectives

edited by Gregory P. Holmbeck and

Travis S. Grimes

submission deadline 30 Apr 2026 | Viewed by 158 | Submission Open

Keywords: actinides; isotope production; nuclear energy; nuclear medicine; radioisotopes; radiolysis; separations; waste management

(This special issue belongs to the Section Medicinal Chemistry)

Catalysis for Drug Discovery

edited by

Deyun Qian

submission deadline 30 Apr 2026 | Viewed by 157 | Submission Open

Keywords: organic synthesis; metal catalysis; organocatalysis; asymmetric catalysis; photocatalysis; electrocatalysis; drug discovery

(This special issue belongs to the Section Organic Chemistry)

Advanced Analytical Methods in Food Chemistry

edited by

Grażyna Neunert

and Katarzyna Walkowiak

submission deadline 30 Apr 2026 | Viewed by 151 | Submission Open

Keywords: chromatography; mass spectrometry; spectroscopy techniques; food quality; food control; food adulteration; food allergens

(This special issue belongs to the Section Analytical Chemistry)

Pesticides in Food and Environment: Detection and Removal Using Chemical Technologies

edited by

Tamara Lazarevic-Pasti

submission deadline 30 Apr 2026 | Viewed by 137 | Submission Open

Keywords: pesticide detection; chemical remediation; advanced oxidation processes; adsorption technologies; green chemistry; functional materials; food and environmental safety; analytical methods

(This special issue belongs to the Section Analytical Chemistry)

Chemical Composition and Functional Properties of Food By-Products

edited by

Renata Różyło

submission deadline 30 Apr 2026 | Viewed by 136 | Submission Open

Keywords: food by-products; chemical composition; functional properties; antioxidant activity; sustainable food processing

(This special issue belongs to the Section Food Chemistry)

Advances in Organic Materials for Energy, Optoelectronics, and Electronics

edited by

Tersilla Virgili

and

David Lidzey

submission deadline 30 Apr 2026 | Viewed by 128 | Submission Open

Keywords: organic semiconductors; perovskites; solar cells; LEDs; lasers; microcavities; photodetectors; optoelectronics

(This special issue belongs to the Section Applied Chemistry)

Chemical Mechanisms and Applications of Plasma Technology in Environmental and Biomedical Sciences

edited by

Dehui Xu

submission deadline 30 Apr 2026 | Viewed by 127 | Submission Open

Keywords: cold atmospheric plasma (CAP); environmental pollution; formaldehyde degradation; reactive oxygen species (ROS); reactive nitrogen species (RNS); cancer therapy; wound healing; plasma-induced apoptosis; advanced oxidation

(This special issue belongs to the Section Applied Chemistry)

Bioengineered Peptides and Proteins as Potential Therapeutic Agents

edited by Rigini M. Papi

submission deadline 30 Apr 2026 | Viewed by 120 | Submission Open

Keywords: bioengineered peptides & proteins; therapeutic agents; synthetic biology; structure-function prediction; protein engineering; protein scaffolds; drug design; regenerative medicine

(This special issue belongs to the Section Bioorganic Chemistry)

Antibacterial Agents from Natural Source, 3rd Edition

edited by

Carlos H. G. Martins

submission deadline 30 Apr 2026 | Viewed by 115 | Submission Open

Keywords: natural products; antibacterial activity; anti-virulence; bioactive molecules; mechanisms and applications; biological activity; drug development; antibacterial peptides

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

Green Chemistry Strategies for Biomass Valorization

edited by

Filipa A. Vicente

and

Ilja Gasan Osojnik Črnivec

submission deadline 30 Apr 2026 | Viewed by 112 | Submission Open

Keywords: green chemistry; biomass valorization; green solvents; biocatalysis; sustainable processes; sustainability metrics

(This special issue belongs to the Section Green Chemistry)

Exploring the Modification of Nanocellulose: Strategies for Enhancing Properties and Expanding Applications

edited by

Micholas D. Smith

and

Shalini Jayaraman Rukmani

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

Keywords: nanocellulose; cellulose-polymer composites; cellulose nanofibers (CNFs); cellulose nanocrystals (CNCs); cellulose processing; nanocellulose functionalization; TEMPO cellulose; surface modification; grafting; nanocellulose biosensors

(This special issue belongs to the Section Macromolecular Chemistry)

Advances in Selenium Catalysts and Antioxidants—2nd Edition

edited by Arai Kenta and

Michio Iwaoka

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

Keywords: selenoenzyme models; selenosugars; biomimetics; reactive oxygen species; nanoparticles; chalcogen bond; catalytic reactions; organoselenium compounds

(This special issue belongs to the Section Organic Chemistry)

Nutritional Enhancement and Functional Innovation of Plant-Based Foods

edited by

Magdalena Zielińska-Dawidziak

Agnieszka Makowska

and

Przemysław Kowalczewski

submission deadline 30 Apr 2026 | Viewed by 103 | Submission Open

Keywords: plant-based foods; plant product bioavailability; vegan diet; nutritional enhancement; functional innovation; protein fortification; sustainable nutrition

(This special issue belongs to the Section Food Chemistry)

Near-Infrared Fluorescent Materials for Biological Imaging and Sensing

edited by Daliang Li and

Maged Henary

submission deadline 30 Apr 2026 | Viewed by 102 | Submission Open

Keywords: near-infrared fluorescent materials; biological imaging; material design; biosensing; theranostics; disease diagnosis

(This special issue belongs to the Section Materials Chemistry)

Current Advances in Biodegradable Polymers

edited by Aurelio Ramírez-Hernández and Alejandro Aparicio-Saguilán

submission deadline 30 Apr 2026 | Viewed by 100 | Submission Open

Keywords: natural and synthetic polymers; biodegradation; synthesis; characterization; composites; nanomaterials; processing; environmental impact; molecular modeling

(This special issue belongs to the Section Materials Chemistry)

Spectroscopic and Spectrometric Techniques for Structural Analysis, 2nd Edition

edited by

Nives Galić

and

David Klarić

submission deadline 30 Apr 2026 | Viewed by 99 | Submission Open

Keywords: NMR spectroscopy; mass spectrometry; vibrational spectroscopy; UV-Vis spectroscopy; spectrofluorimetry; EPR spectroscopy; structural analysis

(This special issue belongs to the Section Analytical Chemistry)

Chemical Compositions and Bioactivities of Foods, 2nd Edition

edited by

Zhaojun Wei

submission deadline 30 Apr 2026 | Viewed by 95 | Submission Open

Keywords: foods; phytochemicals; biophytochemicals; food bioactives; chemical compositions; functional foods; dietary supplements; medical foods; biological pathway; molecular mechanisms

(This special issue belongs to the Section Food Chemistry)

Multidisciplinary Approaches to Bioactive Natural Products: From Source to Application

edited by

Zhenxing Zou

and

Haibo Tan

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

Keywords: natural products; secondary metabolites; isolation and identification of natural products; structure– activity relationship; biological

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

Synthesis, Characterization, and Catalytic Applications of Transition Metal Complexes

edited by Daniel Mendoza Espinosa

submission deadline 30 Apr 2026 | Viewed by 91 | Submission Open

Keywords: transition metal complexes; homogeneous catalysis; heterogeneous catalysis; catalytic cycles; organic synthesis; selectivity; efficiency; sustainability

(This special issue belongs to the Section Organometallic Chemistry)

Analytical Techniques for Environmental Contamination

edited by Shiming Song

submission deadline 30 Apr 2026 | Viewed by 91 | Submission Open

Keywords: environmental analytical chemistry; environmental monitoring; pollution control; pollution monitoring; green methodologies

(This special issue belongs to the Section Analytical Chemistry)

Chemical Composition, Pharmacological and Therapeutic Activity of Plant Extracts

edited by

Jasmina Sretenovic

Jovana Bradic

and

Jovana Joksimovic Jovic

submission deadline 30 Apr 2026 | Viewed by 90 | Submission Open

Keywords: plant extracts; natural product chemistry; in silico; in vitro; and in vivo studies; acute and chronic inflammation; cardiometabolic disorders; endocrine disorders; neurodegenerative disorders

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

New Trends in Graphene Nanomaterials

edited by

Łukasz Kołodziejczyk

submission deadline 30 Apr 2026 | Viewed by 90 | Submission Open

Keywords: graphene; graphene-based nanomaterials; 2D; functionalization; synthesis methods; hybrid nanostructures; energy storage; catalysis

(This special issue belongs to the Section Materials Chemistry)

New Insights Into Porous Materials in Adsorption and Catalysis, 2nd Edition

edited by Marcia G. Ventura,

Ines Matos

and

Maria Bernardo

submission deadline 30 Apr 2026 | Viewed by 89 | Submission Open

Keywords: catalysis; adsorption; environmental remediation; water and air purification; soil remediation; gas storage/upgrade; carbon dioxide capture; biomass to biofuel conversion

(This special issue belongs to the Section Applied Chemistry)

Functional Polysaccharide Systems: From Molecular Interactions to Innovative Applications

edited by Sławomir Pietrzyk and Karolina Królikowska

submission deadline 30 Apr 2026 | Viewed by 86 | Submission Open

Keywords: functional polysaccharide systems; molecular interactions; structure– function relationships; interactions with other components; polymer modification; innovative applications in food and biotechnology

(This special issue belongs to the Section Food Chemistry)

Sustainable Recycling of Industrial By-Products and Spent Batteries

edited by Jingxiu Wang and

Herman Potgieter

submission deadline 30 Apr 2026 | Viewed by 85 | Submission Open

Keywords: sustainable recycling; industrial by-products; spent batteries; critical metal recovery; hydrometallurgical processes; deep eutectic solvents (DESs); green extraction technologies; circular chemistry

(This special issue belongs to the Section Green Chemistry)

Adventures in Bioinorganic Chemistry

edited by

Gianantonio Battistuzzi

Erika Ferrari

and

Alessandro Paradisi

submission deadline 30 Apr 2026 | Viewed by 83 | Submission Open

Keywords: metalloenzymes; enzymatic catalysis; metal-binding proteins; metal-based drugs; radiopharmaceuticals; bioavailability of metal ions; metal trafficking; metallomics; metal signalling

(This special issue belongs to the Section Inorganic Chemistry)

Emerging Strategies in Thermocatalysis and Electrocatalysis for Carbon Dioxide Valorization

edited by

Georgios Kyriakou

and

Alexandros Katsaounis

submission deadline 30 Apr 2026 | Viewed by 83 | Submission Open

Keywords: carbon dioxide valorization; CO₂ conversion; CO₂ activation; catalyst design; renewable energy integration; sustainable fuels and chemicals

(This special issue belongs to the Section Green Chemistry)

Green Valorization of Food By‑Products: Bioactive Molecules and Food‑Grade Delivery Systems

edited by

Hugo Miguel Lisboa Oliveira

submission deadline 30 Apr 2026 | Viewed by 82 | Submission Open

Keywords: valorization; food; agro‑industrial by‑product; fruit; vegetable; botanical; delivery; encapsulation; extraction; characterization; cold pressing; pressurized liquids; ultrasound; microwave; supercritical; subcritical; phenolic; terpene; lipid; peptide; polysaccharide; purification; structure– activity relationship; bioefficacy; antioxidant; antimicrobial; anti‑inflammatory; spray‑dried microcapsule; complex coacervate; nanoemulsion; cyclodextrin inclusion complex; ionotropic gelation system; controlled release; nutraceutical; active packaging; circular‑bioeconomy metrics; shelf‑life; in silico

(This special issue belongs to the Section Food Chemistry)

Preparation and Catalytic Properties of Transition Metal Complexes

edited by

Jana Pisk

submission deadline 30 Apr 2026 | Viewed by 81 | Submission Open

Keywords: transition metal complexes; ligand design; coordination compounds; ligand design; catalysis; synthesis

(This special issue belongs to the Section Organometallic Chemistry)

Photocatalysts: Design, Synthesis, and Applications

edited by

Jianhao Qiu

submission deadline 30 Apr 2026 | Viewed by 79 | Submission Open

Keywords: photocatalysis; photocatalytic degradation; H2 production; CO2 reduction; H2O2 production

(This special issue belongs to the Section Photochemistry)

Advanced Visual Sensing Strategies for Environmental Pollutant Detection

edited by

Minjia Meng

and

Bo Hu

submission deadline 30 Apr 2026 | Viewed by 72 | Submission Open

Keywords: visual sensing; colorimetric detection; ratiometric analysis; sensor arrays; environmental pollutants; portable and smart devices

(This special issue belongs to the Section Applied Chemistry)

Current Advances in the Discovery and Development of New Therapies against Cancer, 2nd Edition

edited by

Benjamin Pineda

submission deadline 30 Apr 2026 | Viewed by 69 | Submission Open

Keywords: cancer; solid tumor; leukemia; central nervous system; tumor; drug discovery; therapy; nanotherapy

(This special issue belongs to the Section Medicinal Chemistry)

Materials in the Application of Adsorption, Degradation, Catalysis and Water Treatment, 2nd Edition

edited by

Adina Negrea

and

Nicoleta Sorina Nemeş

submission deadline 30 Apr 2026 | Viewed by 66 | Submission Open

Keywords: biomaterial; antimicrobial; adsorbent; catalyst; natural polymers/biopolymers; food packaging; conventional technologies for water treatment; advanced technologies for water treatment

(This special issue belongs to the Section Materials Chemistry)

Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials—2nd Edition

edited by Zhao-Yang Wang and Le Li

submission deadline 30 Apr 2026 | Viewed by 63 | Submission Open

Keywords: organic synthetic methods; synthesize pharmaceuticals; agrochemicals; and materials; organic photosynthesis; organic electrochemical synthesis; biocatalysis; AI-based organic synthesis

(This special issue belongs to the Section Organic Chemistry)

Energy Materials: Preparation and Application in Electrochemical Energy Storage

edited by Lina Chen

submission deadline 30 Apr 2026 | Viewed by 59 | Submission Open

Keywords: battery; energy materials; energy conversion; electrochemical energy storage; material preparation; renewable energy; novel electrode materials; sustainable materials

(This special issue belongs to the Section Applied Chemistry)

Inclusion Complex: Formation, Structure and Properties

edited by

Juliana Fedoce Lopes

, Wagner De Almeida and

Andreea Alexandra Olteanu

submission deadline 30 Apr 2026 | Viewed by 53 | Submission Open

Keywords: inclusion complex; host– guest interaction; computational chemistry; intermolecular interactions; structural characterization; supramolecular interactions

(This special issue belongs to the Section Molecular Structure)

Computational and Theoretical Insights on Molecular Structure, Solvation, Interactions and New Materials Design, 2nd Edition

edited by

Piotr Cysewski

submission deadline 30 Apr 2026 | Viewed by 49 | Submission Open

Keywords: solvation effects; solvation dynamics; designed solvents; intermolecular interactions; molecular modeling; machine learning; materials science; saturated solutions; chemical reactivity; computational techniques

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

Organic Fluorescent Dyes and Materials: From Synthesis to Applications in Detection and Bio-Imaging

edited by

Anna Barattucci

submission deadline 30 Apr 2026 | Viewed by 46 | Submission Open

Keywords: fluorescent organic materials; organic synthesis; sensors; bio-imaging; theranostics

(This special issue belongs to the Section Materials Chemistry)

Bioactive Molecules from Natural Sources and Their Functions

edited by Sonia Del Prete and

Mario Pagano

submission deadline 1 May 2026 | 3 articles | Viewed by 3605 | Submission Open

Keywords: secondary metabolites; primary metabolism; living organisms; function; structure; enzymes; biosynthetic pathways

(This special issue belongs to the Section Medicinal Chemistry)

Displaying special issue 551-600 on page 12 of 24.

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