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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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Redox-Active Molecules as Key Players for Inflammatory Diseases

edited by Ange Mouithys-Mickalad

submission deadline 30 Jun 2026 | 2 articles | Viewed by 2036 | Submission Open

Keywords: redox-active Molecules; oxidative stress; inflammatory diseases; QSAR; computer-aided drug design; redox active natural compounds

(This special issue belongs to the Section Medicinal Chemistry)

Extraction of Plant-Derived Bioactives: Impacts on Human Health and Pharmacological Applications

edited by

Roman Paduch

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1966 | Submission Open

Keywords: plant extracts; bioactivity; pharmacology; human health; natural compounds extraction; natural compounds activity; pharmacokinetics

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

Applications of Natural Polymers in Biomedicine

edited by

Katarzyna Lewandowska

submission deadline 30 Jun 2026 | 3 articles | Viewed by 1928 | Submission Open

Keywords: polymer biomaterials; biopolymers; proteins; polysaccharides; gels; hydrogels; scaffolds; films

(This special issue belongs to the Section Medicinal Chemistry)

Rational Design, Synthesis, and Evaluation of Small-Molecule Anticancer Agents

edited by

Srinivasa Reddy Telukutla

and Ganga Reddy Velma

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1915 | Submission Open

Keywords: drug design; medicinal chemistry; organic synthesis; total synthesis; multi-drug resistance; biological activity; anti-cancer; heterocyclic compounds; cytotoxicity; structure– activity relationship; molecular modeling

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Electrode Materials and Interfaces for Next-Generation Solid-State Batteries

edited by

Helena Braga

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1906 | Submission Open

Keywords: all-solid-state batteries; interfaces; electrodes; lithium; sodium; sulfides; oxides; halides

(This special issue belongs to the Section Electrochemistry)

Development of Active Bio-Packaging Films for Food Industry with Natural Bioactive Compounds

edited by Renata Dobrucka

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1885 | Submission Open

Keywords: active packaging; natural compounds; biomaterials; biocomposites; natural polymers; polysaccharides; packaging materials

(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 30 Jun 2026 | 1 articles | Viewed by 1839 | Submission Open

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

(This special issue belongs to the Section Electrochemistry)

Plant Secondary Metabolites: Extraction, Isolation and Biological Activity

edited by

Antoaneta Trendafilova

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1825 | Submission Open

Keywords: secondary metabolites; extraction; chromatography; identification (NMR; MS; etc.); hyphenated techniques (Gc-MS; LC-MS; etc.); biological activity; structure– activity relationships; mechanism of action

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

The Role of Cannabinoids in Human Health

edited by

Christian Lehmann

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1744 | Submission Open

Keywords: cannabinoids; synthetic cannabinoids; human health

(This special issue belongs to the Section Medicinal Chemistry)

Modern Sample Preparation Approaches for Separation Science, 2nd Edition

edited by

Nuno Neng

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1655 | Submission Open

Keywords: sample preparation; enrichment techniques; sorption-based methods; virtual sample preparation; microextraction techniques; new analytical strategies; separation techniques

(This special issue belongs to the Section Analytical Chemistry)

Recent Research on Photocatalysis for Energy Storage and Conversion

edited by

David Lee Phillips

and

Weihua Tang

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1642 | Submission Open

Keywords: photocatalyst; photo/electrocatalyst; energy storage and conversion; photogenerated carrier; carbon neutrality; semiconductors

(This special issue belongs to the Section Photochemistry)

Advances in European Materials Chemistry

edited by

Ana Ines Fernandez Renna

Marinella Striccoli

and

Marco Anni

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1631 | Submission Open

Keywords: carbon-based materials; nanomaterials; nuclear materials; luminescent materials; textile materials; biomaterials; interfaces in material systems; hybrid organic– inorganic materials; thin films and coatings; self-assembling systems; nanocomposites; thermal behavior; durability

(This special issue belongs to the Section Materials Chemistry)

Computational Analysis of Protein and Nucleic Acid Structures, Interactions, and Functions

edited by

Wenjin Li

and

Ruoxu Gu

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1496 | Submission Open

Keywords: machine learning; molecular dynamics simulations; multi-scale modeling; protein– nucleic acid interactions; protein and/or nucleic acid structure prediction; binding thermodynamics/kinetic; AI-assisted drug design; functional prediction; network-based functional analysis; multi-omics integration

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

Recyclable Supramolecular Polymer Materials

edited by

Bo Qin

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1406 | 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)

Plant-Derived Compounds: Biological Functions and Therapeutic Potential

edited by

Myongjo Kim

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1346 | Submission Open

Keywords: plant-derived bioactive compounds; natural products; phytochemicals; biological activities; extraction and isolation; molecular mechanisms; phytotherapic products; ethnopharmacology

Advances in Molecular Modeling in Chemistry, 3rd Edition

edited by

Heng Zhang

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1346 | Submission Open

Keywords: molecular modeling; applications; quantum chemistry calculation; molecular dynamic simulation; Monte Carlo simulation; combined experimental and simulation studies

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

Advances in Environmental Remediation and Wind–Sand Stabilization Materials

edited by

Baoshou Shen

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1317 | Submission Open

Keywords: soil remediation and improvement; water purification; windbreak and sand fixation; air purification materials; natural eco-materials

(This special issue belongs to the Section Applied Chemistry)

Advances in Amylases, 2nd Edition

edited by

Stefan Janecek

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1277 | Submission Open

Keywords: enzyme; alpha-amylase enzyme; starch and glycogen; gut microbiome oriented study

(This special issue belongs to the Section Bioorganic Chemistry)

Nanomaterial-Based Sensors for Food Safety Analysis

edited by

Qi Zhang

and

Shijie Li

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1272 | Submission Open

Keywords: nanomaterial-based sensors; electrochemical/optical sensors; pathogen/toxin/pesticide/heavy metal ion detection; point-of-care testing; on-site; all-in-one; sensitivity enhancement

(This special issue belongs to the Section Nanochemistry)

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

edited by

Ana Belén Dongil

and Eva Castillejos-Lopéz

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1197 | Submission Open

Keywords: CO2 valorization; biomass conversion; catalysis

(This special issue belongs to the Section Green Chemistry)

Synthesis and Characterization of Hybrid Biomaterials for Life Sciences

edited by

Michelina Catauro

Antonio D’Angelo

and

Marika Fiorentino

submission deadline 30 Jun 2026 | 2 articles | Viewed by 1194 | Submission Open

Keywords: hybrid material; biomaterials; drug release; antimicrobial test; chemical characterization; natural polymers; bioactivity assessment; bioactivity

(This special issue belongs to the Section Materials Chemistry)

Advances in Porphyrinoid-Based Functional Materials

edited by

Maria G. P. M. S. Neves

M. Amparo F. Faustino

Carla Isabel Madeira dos Santos

and

Nuno M. M. Moura

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1186 | Submission Open

Keywords: porphyrinoids; synthetic approaches; functional materials; medicine; environment; energy; sensing; catalysis

(This special issue belongs to the Section Organic Chemistry)

Hybrid and Hierarchical Zeolite-Based Platforms for Sustainable Remediation and Resource Recovery

edited by

Annalisa Martucci

and

Maura Mancinelli

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1151 | Submission Open

Keywords: hybrid and hierarchical zeolite-based materials; environmental remediation technologies; PFAS and emerging persistent pollutants; water; air; and soil treatment; functional porous platforms; natural; synthetic; composite; and nano-zeolites; structure– contaminant interaction mechanisms; circular economy and sustainable applications

(This special issue belongs to the Section Materials Chemistry)

Unlocking the Potential of Agro-Forestry Residues: Biomolecules for Diverse Applications and Multifunctional Uses

edited by

Manuela Romagnoli

and

Swati Tamantini

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1138 | Submission Open

Keywords: waste management; recycling; lignin; tannins; cellulose; additives; eco-friendly materials; nanotechnology; sustainability; circular economy

(This special issue belongs to the Section Green Chemistry)

Design of Chemically Recyclable Polymers in Sustainable Chemistry: A Minimalist Perspective

edited by Francesco Stellacci, Youwei Ma and Ping Yu

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1069 | Submission Open

Keywords: chemically recyclable polymers; sustainable polymers; biomass-based polymers; dynamic (covalent) bonds; minimalist sustainable design

(This special issue belongs to the Section Green Chemistry)

Boron-Containing Compounds: Chemistry, Biological Functions, and Emerging Biomedical Applications

edited by

Ion Romulus Scorei

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1069 | Submission Open

Keywords: boron-containing compounds; organoboron chemistry; boron– carbohydrate complexes; boronated lipids; BNCT; boron essentiality; microbiota-accessible boron; boron-based therapeutics; boron prebiotic chemistry; molecular nutrition; membrane biology; carboranes

Fluorescent Molecular Tools for Neuroscience Research

edited by Sheng Xie

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1056 | Submission Open

Keywords: histochemical method; fluorescent probes; brain-wide 3D imaging; neuropathology; immunofluorescence labeling; transgenic labeling; small-fluorophore labeling; metallophilic labeling; virus-based labeling

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

Innovative Analytical Approaches for the Isolation and Characterization of Drugs, Metabolites and Natural Bioactive Compounds

edited by

Evroula Hapeshi

and

Magda Psichoudaki

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1019 | Submission Open

Keywords: analytical chemistry; chromatography; extraction; green chemistry; bioactive compounds; drugs; metabolites

(This special issue belongs to the Section Analytical Chemistry)

Biobased Chemicals: Environmentally Friendly Solutions for Sustainable Development, 3rd Edition

edited by

Szymon Szufa

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1014 | Submission Open

Keywords: bioproducts; biochar; hydrochar; by-products; biofuels; biomass; hydrothermal carbonization; torrefaction

New Achievements and Challenges in Food Chemistry, 2nd Edition

edited by

Jie Chen

and Qiuming Chen

submission deadline 30 Jun 2026 | 1 articles | Viewed by 1007 | Submission Open

Keywords: food processing innovations; alternative proteins; bioactive compounds; food safety; food storage; flavor chemistry; food enzyme design; AI-assisted technologies; novel analytical methods

(This special issue belongs to the Section Food Chemistry)

Drug Resistance and Antimicrobial Activities of Natural Products

edited by

Krzysztof Skowron

and

Katarzyna Grudlewska-Buda

submission deadline 30 Jun 2026 | 1 articles | Viewed by 954 | Submission Open

Keywords: natural products; antimicrobial resistance; antibiofilm activity; synergy; drug discovery

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

Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 3rd Edition

edited by

Irinel Adriana Badea

and

Rodica Olar

submission deadline 30 Jun 2026 | 1 articles | Viewed by 939 | Submission Open

Keywords: phytochemicals; natural products; traditional medicine; liquid– liquid extraction; hydro distillation and steam distillation; solid-phase extraction; Soxhlet extraction; pressurized liquid extraction; supercritical fluid extraction; ultrasound-assisted extraction; microwave-assisted extraction; enzyme-assisted extraction; pulsed electric field extraction; HPLC; HPLC-MS; GC-MS; NMR; IR; in vitro assay; in vivo assay; antioxidant; anti-inflammatory; antimicrobial; antitumoral activity

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

Insight into Organic Semiconductor Materials

edited by Runfeng Chen and Chao Zheng

submission deadline 30 Jun 2026 | 1 articles | Viewed by 887 | Submission Open

Keywords: organic semiconductors; organic photonics; inorganic/organic hybrid materials; excitons; electroluminescence; photovoltaics; vacuum/solution process; energy transfer

(This special issue belongs to the Section Materials Chemistry)

Natural Products and Microbiology in Human Health, 2nd Edition

edited by

Ian Edwin Cock

submission deadline 30 Jun 2026 | 2 articles | Viewed by 883 | Submission Open

Keywords: traditional medicine; antibiotics; antibiotic natural products; probiotics; novel antimicrobial therapies; microbial toxins; phytochemicals; antibiotic-resistant bacteria; drug potentiation

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

Bioavailability of Bioactive Food Compounds

edited by

Sylwia Mildner-Szkudlarz

and

Maria Barbara Różańska

submission deadline 30 Jun 2026 | 1 articles | Viewed by 881 | Submission Open

Keywords: bioactivity; bioavailability; in vitro; metabolism; gastrointestinal models; dietary phytochemicals; food processing technology; non-thermal treatment

(This special issue belongs to the Section Food Chemistry)

Computational Design of Nanomaterials for Environmental and Biomedical Applications

edited by

Ihosvany Camps

and

Cinthia Aguiar

submission deadline 30 Jun 2026 | Viewed by 876 | Submission Open

Keywords: computational nanomaterials design; molecular modeling and simulation; machine learning in materials science; environmental remediation nanomaterials; nanomedicine and drug delivery; biocompatibility and safety assessment; quantum chemistry and multiscale modeling; sustainable nanotechnology

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

Ionic Liquids and Deep Eutectic Solvents: From Synthesis to Emerging Applications

edited by Marina Cvjetko Bubalo and

Pedro Lozano

submission deadline 30 Jun 2026 | 1 articles | Viewed by 872 | Submission Open

Keywords: microwave-assisted organic synthesis; biotransformation; green chemistry; ionic liquids; antioxidant activity; phenolic compounds; reactor design; cytotoxicity; environmental engineering; green technology

(This special issue belongs to the Section Green Chemistry)

Supramolecular Catalytic Systems Build on Macrocycle-Base Host-Guest Interactions

edited by

Xiaowei Li

submission deadline 30 Jun 2026 | 1 articles | Viewed by 847 | Submission Open

Keywords: supramolecular catalysis; host– guest systems; macrocycles; noncovalent interactions; microenvironments; activity; stimuli-responsiveness; enantioselectivity/selectivity; transition state stabilization; product inhibition; tandem catalysis

(This special issue belongs to the Section Organic Chemistry)

Chemical Composition, Antiradical Potential and Sensory Qualities of Lesser-Known Fruits

edited by

Piotr Latocha

Barbara Łata

and

Eliza Kostyra

submission deadline 30 Jun 2026 | 1 articles | Viewed by 831 | Submission Open

Keywords: chemical composition; lesser-known fruits; antiradical potential; sensory and instrumental analysis; health-promoting activity

(This special issue belongs to the Section Food Chemistry)

Design, Synthesis, and Photochemical Studies of Functional Dyes

edited by Liang Han

submission deadline 30 Jun 2026 | 1 articles | Viewed by 815 | Submission Open

Keywords: synthesis of functional dyes; photochemistry of dyes; organic dyes; functional organic dyes; photo-inducing materials; organic photoelectric materials

(This special issue belongs to the Section Photochemistry)

Circular Economy: Agri-Food Byproducts as Source of Bioactive Compounds, 2nd Edition

edited by

Domenico Trombetta

and

Antonella Smeriglio

submission deadline 30 Jun 2026 | 1 articles | Viewed by 806 | Submission Open

Keywords: agri-food byproducts; plant extracts; food extracts; essential oils; bioactive compounds; nutraceuticals; micromorphology; phytochemistry; health effects; eco-sustainability

(This special issue belongs to the Section Green Chemistry)

Chemical Transformations and Analysis in Food: Nutrition, Flavor Compounds, and Microbiological Research

edited by

Zhijia Liu

Xuejiao Wang

and

Xingwei Wang

submission deadline 30 Jun 2026 | 1 articles | Viewed by 802 | Submission Open

Keywords: flavor compounds; fermented food; flavor formation; flavor compound production/synthesis

(This special issue belongs to the Section Food Chemistry)

Synthesis and Characterization of Heterocycles with Potential Applications

edited by

Maria João Queiroz

submission deadline 30 Jun 2026 | 1 articles | Viewed by 742 | Submission Open

Keywords: heterocycles; synthesis; design; characterization; green methods; applications

(This special issue belongs to the Section Organic Chemistry)

Bioactive Secondary Metabolites in Natural Products

edited by

Bożena Muszyńska

and

Katarzyna Sułkowska-Ziaja

submission deadline 30 Jun 2026 | 1 articles | Viewed by 734 | Submission Open

Keywords: bioactive metabolites from mushrooms; medicinal plant metabolites; pro-health secondary metabolites from natural products; antiaging natural sources metabolites; natural dietary supplements

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

Topological Polymers for Advanced Materials

edited by

Afang Zhang

Wen Li

and Jiatao Yan

submission deadline 30 Jun 2026 | 1 articles | Viewed by 728 | Submission Open

Keywords: dendritic macromolecules; molecular brushes; polymer brushes; comb-like polymers; star polymers; graft polymers; polyrotaxanes; 2D polymers

(This special issue belongs to the Section Materials Chemistry)

Advances in the Chemical Analysis of Prehistoric Materials

edited by

Federica Valentini

submission deadline 30 Jun 2026 | 1 articles | Viewed by 714 | Submission Open

Keywords: archaeological tools (resins; adhesives); chromatography (gas chromatography); infrared spectroscopy; nuclear magnetic resonance (NMR); archaeobotany; archaeology; terpenoids; sesquiterpenes; volatile organic compounds (VOCs)

(This special issue belongs to the Section Analytical Chemistry)

Computational Drug Design

edited by Hajime Hirao

submission deadline 30 Jun 2026 | 1 articles | Viewed by 712 | Submission Open

Keywords: AI-based drug design; molecular docking; molecular dynamics simulations; QM/MM calculations; pharmacophore modeling; cheminformatics; ADMET prediction

(This special issue belongs to the Section Medicinal Chemistry)

Progress in Green Analytical Methods for the Detection of Trace Substances in Complex Matrices

edited by

Federica Bianchi

and

Nicolò Riboni

submission deadline 30 Jun 2026 | 1 articles | Viewed by 679 | Submission Open

Keywords: green analytical chemistry; greenness evaluation metrics; integrated analytical platforms; miniaturized sample preparation; green materials for sample pre-treatment; on-line and in-line sampling; automatization

(This special issue belongs to the Section Analytical Chemistry)

Deep Eutectic Solvents: Properties, Applications and Perspectives

edited by

Ana Rita C. Duarte

and

Tiancheng Mu

submission deadline 30 Jun 2026 | 1 articles | Viewed by 634 | Submission Open

Keywords: green chemistry; deep eutectic systems; physico-chemical properties; thermodynamic modelling; application development; extraction; biocatalysis; CO2 capture; electrochemistry

(This special issue belongs to the Section Green Chemistry)

Carbohydrate-Based Drug Delivery Systems: Chemistry, Design, and Therapeutic Potential

edited by

Georgia N. Valsami

Natassa Pippa

and Paraskevi Papakyriakopoulou

submission deadline 30 Jun 2026 | 1 articles | Viewed by 574 | Submission Open

Keywords: carbohydrate-based drug delivery systems; polysaccharides; cyclodextrins; drug loading and release; routes of administration; in vitro– in vivo evaluation; PK/PD studies

(This special issue belongs to the Section Macromolecular Chemistry)

Displaying special issue 201-250 on page 5 of 27.

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