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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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Advances in Organic Materials for Energy, Optoelectronics, and Electronics

edited by

Tersilla Virgili

and

David Lidzey

submission deadline 30 Nov 2026 | 2 articles | Viewed by 1878 | Submission Open

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

(This special issue belongs to the Section Applied Chemistry)

Molecular Modeling: Advancements and Applications, 4th Edition

edited by

Teobald Kupka

submission deadline 30 Nov 2026 | 3 articles | Viewed by 1473 | Submission Open

Keywords: quantum mechanics; molecular mechanics (MM); molecular dynamics (MD); semi-empirical calculations; ab initio methods; post-Hartree–Fock methods; density functional theory (DFT); software development; achieving chemical accuracy; thermochemistry and reactivity; interaction energy; covalent bonding and non-covalent interactions; large molecular systems; IR, Raman, and NMR; drug design; nanomaterials and nanotechnology; material sciences

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

Zeolites and Related Nanoporous Materials: Green Supports for Molecules

edited by

Nevenka Rajić

submission deadline 30 Nov 2026 | 2 articles | Viewed by 1350 | Submission Open

Keywords: porous materials; zeolites; selective catalysts; zeolite-like materials; molecule selectivity

(This special issue belongs to the Section Materials Chemistry)

Porous and Nanoporous Materials in Heterogeneous Catalysis, 2nd Edition

edited by Angela Martins

submission deadline 30 Nov 2026 | 2 articles | Viewed by 1301 | Submission Open

Keywords: porous and nanoporous materials; heterogeneous catalysts; hierarchical materials; bifunctional catalysts; catalyst supports; zeolites; zeotypes; carbon materials; MOFs; mesoporous silicas

(This special issue belongs to the Section Materials 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 Nov 2026 | 1 articles | Viewed by 1279 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Probiotics and Other Functional Microorganisms in Food Quality and Nutrition

edited by

Monika Kordowska-Wiater

and Adam Staniszewski

submission deadline 30 Nov 2026 | 2 articles | Viewed by 1229 | Submission Open

Keywords: probiotics; functional microorganisms; starter cultures; functional food; food quality; nutrition; food biotechnology

(This special issue belongs to the Section Food Chemistry)

Nitrogen-Containing Heterocyclic Scaffolds: Synthesis and Bioactivity

edited by

Paolo Zardi

and

Alfonso Zambon

submission deadline 30 Nov 2026 | 1 articles | Viewed by 1179 | Submission Open

Keywords: heterocycles; heteroaromatics; drug discovery; organic synthesis; structure-activity relationship

(This special issue belongs to the Section Medicinal Chemistry)

Chemical Composition and Anti-Inflammatory Activity of Essential Oils, 2nd Edition

edited by

Gianfranco Fontana

submission deadline 30 Nov 2026 | 1 articles | Viewed by 1166 | Submission Open

Keywords: essential oils; anti-inflammatory activity; chemo-prevention; natural products; inflammation cascade

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

Zeolites and Mesoporous Materials: Properties and Applications, 3rd Edition

edited by Łukasz Kuterasiński

submission deadline 30 Nov 2026 | 2 articles | Viewed by 1087 | Submission Open

Keywords: crystalline aluminosilicates; zeolites; mesoporous materials; synthesis; structure; catalysis spectroscopy (IR, NMR, etc.); modeling

(This special issue belongs to the Section Applied Chemistry)

Chitosan-Based Materials for Pharmaceutical and Medical Applications

edited by

Mahwash Mukhtar

and

Rita Ambrus

submission deadline 30 Nov 2026 | 1 articles | Viewed by 1073 | Submission Open

Keywords: chitin; chitosan; chitosan modification; chitosan-based drug delivery systems; chitosan nanoparticles; chitosan for biomedical use; chitosan biomaterials

(This special issue belongs to the Section Materials Chemistry)

Advances in Natural Products for the Prevention and Treatment of Diabetes and Obesity

edited by

Liqing Zang

submission deadline 30 Nov 2026 | 2 articles | Viewed by 1051 | Submission Open

Keywords: natural products; diabetes; obesity; metabolic syndrome; bioactive compounds; zebrafish; molecular mechanisms; drug screening

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

Bioactive Natural Products: Isolation, Modification, and Therapeutic Potential

edited by

Agnieszka Wróblewska

and

Anna Fajdek-Bieda

submission deadline 30 Nov 2026 | 1 articles | Viewed by 1035 | Submission Open

Keywords: bioactive natural products; extraction; isolation; chemical modification; pharmacological activity; structure–activity relationships; bioavailability; therapeutic potential

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

Venoms and Toxins: From Isolation to Therapeutic Applications

edited by

Luis Alberto Ponce-Soto

and

Tomohisa Ogawa

submission deadline 30 Nov 2026 | 1 articles | Viewed by 1031 | Submission Open

Keywords: venoms and toxins; snake venom; venomics; purification; peptides; proteins; therapeutic applications; pharmacological characterization; biomedical applications; biotechnology

(This special issue belongs to the Section Chemical Biology)

Recent Progress in Theoretical and Experimental Chemical Thermodynamics

edited by

Tao Li

submission deadline 30 Nov 2026 | 1 articles | Viewed by 981 | Submission Open

Keywords: chemical thermodynamics; theoretical innovation; experimental methods; characterization techniques; multi-scale simulation

(This special issue belongs to the Section Physical Chemistry)

Exploring Organic Synthesis in Green Chemistry: From Catalytic Reactions to Advanced Applications

edited by

Ignacio López-Coca

and

Carlos Javier Duran-Valle

submission deadline 30 Nov 2026 | 1 articles | Viewed by 888 | Submission Open

Keywords: organic synthesis; green chemistry; catalysis (heterogeneous, homogeneous, enzymatic); microwave synthesis; sonochemistry; green solvents (water, NADES, ILs)

(This special issue belongs to the Section Organic Chemistry)

Advanced Fluorescent Probes for Bioimaging and Environmental Sensing

edited by

David G. Churchill

submission deadline 30 Nov 2026 | 1 articles | Viewed by 870 | Submission Open

Keywords: metal ions; anions; phosphates; fluorescence; aldehydes; phosphorescence; sensitive detection; analytical methods

(This special issue belongs to the Section Analytical Chemistry)

Innovative Catalysts and Multimodal Strategies for Water Remediation

edited by Lucyna Bilińska,

Yongchang Sun

and

Aleksandra Kędzierska-Sar

submission deadline 30 Nov 2026 | 1 articles | Viewed by 804 | Submission Open

Keywords: nanostructured catalysts; thin-film catalysts; transition metal and carbon-based catalysts; advanced oxidation processes (AOPs); electrochemical advanced oxidation processes (EAOPs); photocatalysis; catalytic ozonation; novel catalysts for water remediation; wastewater treatment; functional material

(This special issue belongs to the Section Green Chemistry)

Macromolecules, Particles, and Colloids in Ionic Liquids: Structure, Stability, and Function

edited by Qi Han, Zhengfei Chen and

Tamar Greaves

submission deadline 30 Nov 2026 | 1 articles | Viewed by 795 | Submission Open

Keywords: ionic liquids; macromolecules; colloids; self-assembly; nanoparticles; green solvents; soft matter

(This special issue belongs to the Section Molecular Liquids)

Extractions and Biological Activities of Medicinal Plants

edited by

Valentina Pavic

submission deadline 30 Nov 2026 | 1 articles | Viewed by 749 | Submission Open

Keywords: medicinal plants; plant extracts; bioactive compounds; antioxidant activity; antimicrobial activity; phytochemicals

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

Antioxidants from Natural Plants: Chemistry, Bioactivity, and Applications

edited by

Zoi Vasiliki Skaperda

submission deadline 30 Nov 2026 | 1 articles | Viewed by 740 | Submission Open

Keywords: antioxidants; oxidative stress; natural plants; botanicals; polyphenols

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

Study on Extraction and Chemical Constituents of Natural Extracts, 2nd Edition

edited by

Francesco Epifano

Salvatore Genovese

and

Serena Fiorito

submission deadline 30 Nov 2026 | Viewed by 689 | Submission Open

Keywords: pharmacological effects; extracts from plants, fungus, and other living organisms; chemical constituents; isolation

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

Molecular Liquids in Europe

edited by

Santiago Aparicio

submission deadline 30 Nov 2026 | 1 articles | Viewed by 681 | Submission Open

Keywords: molecular liquids; liquid structure; intermolecular interactions; thermophysical properties; phase behavior; transport properties; spectroscopy; molecular simulation; theoretical modeling; ionic liquids; deep eutectic solvents; multicomponent liquid systems; sustainable solvents; European research

(This special issue belongs to the Section Molecular Liquids)

Metal Recovery from Waste Polymetallic Materials

edited by Ewa Rudnik

submission deadline 30 Nov 2026 | 1 articles | Viewed by 664 | Submission Open

Keywords: extractive metallurgy; hydrometallurgy; solvometallurgy; leaching; ion separation; metal recovery; industrial waste; recycling

(This special issue belongs to the Section Green Chemistry)

Antioxidant, and Anti-Inflammatory Activities of Natural Plants, 2nd Edition

edited by Zofia Niziol-Lukaszewska and

Martyna Zagórska-Dziok

submission deadline 30 Nov 2026 | 1 articles | Viewed by 647 | Submission Open

Keywords: antioxidant activities; anti-inflammatory activities; extraction methods; isolation of active compounds; biological activity; cosmetic application; plant extracts; natural compounds

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

Advanced Membrane Materials for Water Treatment

edited by

Minjia Meng

submission deadline 30 Nov 2026 | 1 articles | Viewed by 639 | Submission Open

Keywords: advanced membranes; water treatment; membrane materials; nanocomposites; desalination; wastewater reuse; antifouling; mixed-matrix membranes (MMMs); emerging contaminants; membrane fabrication

(This special issue belongs to the Section Green Chemistry)

Current Development Prospects of Novel Nanocatalysts

edited by Fengyu Gao

submission deadline 30 Nov 2026 | 1 articles | Viewed by 598 | Submission Open

Keywords: novel nanocatalysts; pollutant purification; environmental catalysis technology; precious metals; metal/alloys; metal oxides; non-metallic materials; environmental protection; gas purification; wastewater treatment; soil remediation; solid waste management; carbon neutrality

(This special issue belongs to the Section Green Chemistry)

Recent Advances in Energy Storage Systems: From Materials Innovation to Practical Applications

edited by Dezhi Chen, Junfei Liang and Hongying Quan

submission deadline 30 Nov 2026 | 1 articles | Viewed by 586 | Submission Open

Keywords: energy storage; molecular design; electrode materials; electrolyte chemistry; interfacial redox chemistry; ion transport mechanisms; structure–property relationships

(This special issue belongs to the Section Electrochemistry)

Advancements in Electrochemistry and Corrosion Protection

edited by Houyi Ma

submission deadline 30 Nov 2026 | 1 articles | Viewed by 573 | Submission Open

Keywords: corrosion electrochemistry; materials degradation; corrosion protection; chemical conversion layers; coatings; inhibitors; electrode corrosion

(This special issue belongs to the Section Electrochemistry)

Novel Two-Dimensional Energy-Environmental Materials; 2nd Edition

edited by

Guangzhao Wang

Saverio Latorrata

, Ning Wang and

Andrea Basso Peressut

submission deadline 30 Nov 2026 | 1 articles | Viewed by 556 | Submission Open

Keywords: two-dimensional energy materials and heterostructures; solar cells and photodetectors; thermoelectric materials; photocatalysis; electrocatalysis; energy storage materials; environmentally friendly materials; environmental pollution remediation; synthesis and preparation methods

(This special issue belongs to the Section Materials Chemistry)

Novel Drug Delivery Systems: From Material Design to Biomedical Applications

edited by

Sonia Trombino

Roberta Cassano

and

Federica Curcio

submission deadline 30 Nov 2026 | 1 articles | Viewed by 502 | Submission Open

Keywords: smart materials; biocompatible polymers; nanocarriers; hydrogels; inorganic nanoparticles; scaffolds for drug delivery; targeted drug delivery; theranostics

(This special issue belongs to the Section Medicinal Chemistry)

Next-Generation Molecular Diagnostics: Mass Spectrometry-Based Omics Insights into Complex Disease Architectures

edited by

Paolo Iadarola

and Simona Viglio

submission deadline 30 Nov 2026 | 1 articles | Viewed by 476 | Submission Open

Keywords: proteomics; metabolomics; mass spectrometry-based; molecular diagnostics; biomarkers; disease heterogeneity; systems biology; precision medicine; integrative analysis; complex diseases

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Medicinal Chemistry in Asia

edited by

Peng Zhan

and Jinfei Yang

submission deadline 30 Nov 2026 | Viewed by 441 | Submission Open

Keywords: drug design; drug discovery; lead compounds; anticancer agents; antiviral agents; antidiabetic agents; CNS agents

(This special issue belongs to the Section Medicinal Chemistry)

Novel Edible Proteins: Strategies for Improving Nutrient Bioavailability

edited by Yaqin Wang and Ndegwa Henry Maina

submission deadline 30 Nov 2026 | Viewed by 434 | Submission Open

Keywords: proteins; nutrient; bioavailability; protein modification; fermentation; chemistry; digestion; digestibility; anti-nutritional factors; health

(This special issue belongs to the Section Food Chemistry)

Biological Properties of Extracts and Essential Oils from Plants of the Lamiaceae Family: An Updated Perspective

edited by

Maria da Graça Costa Miguel

submission deadline 30 Nov 2026 | Viewed by 399 | Submission Open

Keywords: lamiaceae family; essential oils; plant extracts; secondary metabolites; bioactive properties; anti-inflammatory

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

Advanced Interfaces in Energy Storage Devices: From Computational Insights to Experimental Innovations

edited by Diego E. Galvez-Aranda

submission deadline 30 Nov 2026 | Viewed by 389 | Submission Open

Keywords: computational modeling; DFT; molecular dynamics; solar cells; fuel cells; battery; machine learning; ab initio

(This special issue belongs to the Section Materials Chemistry)

Functional Compounds and Advanced Delivery Systems in Cosmetic Science

edited by

Kenji Sugibayashi

and

Hiroaki Todo

submission deadline 30 Nov 2026 | Viewed by 364 | Submission Open

Keywords: cosmetic chemistry; bioactive ingredients; natural extracts; anti-aging compounds; skin barrier function; antioxidants; peptides in cosmetics; nanotechnology in skincare; sustainable formulation; dermal delivery systems

(This special issue belongs to the Section Medicinal Chemistry)

Advancements in Organic Boron Chemistry

edited by Xiaodong Yin

submission deadline 30 Nov 2026 | Viewed by 356 | Submission Open

Keywords: organoboron compounds; synthesis; structural elucidation; spectroscopic studies; functional materials; catalysis and biomedical application

(This special issue belongs to the Section Organic Chemistry)

Advances in Food Proteins

edited by

Przemysław Kowalczewski

and

Matteo Bordiga

submission deadline 30 Nov 2026 | Viewed by 353 | Submission Open

Keywords: food proteins; plant-based proteins; alternative proteins; protein functionality; bioactive peptides; protein–protein interactions; food processing; nutritional quality; sustainable food systems

(This special issue belongs to the Section Food Chemistry)

Covalent Organic Frameworks for Energy Storage

edited by Madagonda M Vadiyar

submission deadline 30 Nov 2026 | Viewed by 352 | Submission Open

Keywords: covalent organic frameworks; synthesis and characterization; energy storage; supercapacitors; aqueous batteries; zinc-ion batteries; charge storage mechanisms; ex situ/in situ characterizations

(This special issue belongs to the Section Materials Chemistry)

Adventures in Bioinorganic Chemistry

edited by

Gianantonio Battistuzzi

Erika Ferrari

and

Alessandro Paradisi

submission deadline 30 Nov 2026 | Viewed by 343 | 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)

Advanced Materials for Gaseous Pollutant Removal

edited by

Xin Liu

Yongbiao Hua

and Yueshuang Mao

submission deadline 30 Nov 2026 | Viewed by 338 | Submission Open

Keywords: gaseous pollutant removal; catalysis; adsorption; sustainable remediation; environmentally friendly materials

(This special issue belongs to the Section Materials Chemistry)

Materials Chemistry in China, 3rd Edition

edited by

Afang Zhang

Cun-Yue Guo

and

Xiaolei Sun

submission deadline 30 Nov 2026 | Viewed by 337 | Submission Open

Keywords: biomaterials; electronic materials; hydrogels; intelligent materials; polymer composites; supramolecular materials; energy materials

(This special issue belongs to the Section Materials Chemistry)

Bioactive Compounds in Food and Plants: Phytochemical Analysis, Structural Elucidation, Biological Properties and Therapeutic Potential

edited by

Adele Cutignano

and

Giulia De Simone

submission deadline 30 Nov 2026 | Viewed by 334 | Submission Open

Keywords: medicinal plants; food; food waste; plant by-products; bioactive metabolites and lipids; NMR spectroscopy; mass spectrometry; biological activity

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

Preparation, Performance and Application of Nano Functional Materials

edited by

Ana Rovisco

and

Ana Pimentel

submission deadline 30 Nov 2026 | Viewed by 328 | Submission Open

Keywords: nano-functional materials; nanostructures; synthesis and fabrication; metal and metal oxide nanomaterials; composite nanomaterials; surface modification; catalysis and energy applications; sensing and bioengineering; sustainable nanomaterials

(This special issue belongs to the Section Materials Chemistry)

Molecular Chemistry of Ionic Liquids and Deep Eutectic Solvents

edited by

Santiago Aparicio

submission deadline 30 Nov 2026 | Viewed by 326 | Submission Open

Keywords: ionic liquids; deep eutectic solvents; molecular interactions; hydrogen bonding; nanostructuring; thermophysical properties; solvation phenomena; molecular simulation; green solvents; sustainable chemistry

(This special issue belongs to the Section Molecular Liquids)

The Electrochemical Oxidation of Small Organic Molecules

edited by

Jelena D. Lović

and

Sanja Stevanovic

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

Keywords: heterogeneous electrocatalysis; organic molecules; surface electrochemistry; nanomaterials; material characterization

(This special issue belongs to the Section Electrochemistry)

Advances in Selenium Catalysts and Antioxidants—2nd Edition

edited by Arai Kenta and

Michio Iwaoka

submission deadline 30 Nov 2026 | Viewed by 318 | 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)

Advanced Polymeric and Small-Molecule Materials for Photovoltaics: Design, Synthesis and Functional Properties

edited by Agnieszka Katarzyna Pająk and

Sonia Kotowicz

submission deadline 30 Nov 2026 | Viewed by 293 | Submission Open

Keywords: organic semiconductors; conjugated polymers; small molecules; inorganic/organic hybrid materials; photonics and optoelectronics; photovoltaics; third-generation solar cells; dye-sensitized solar cells; perovskite solar cells; bulk-heterojunction solar cells

(This special issue belongs to the Section Materials Chemistry)

Molecular Dynamics in Structure-Based Drug Discovery: Structure, Function, and Selectivity

edited by Hezekiel M. Khumalo,

Daniel Gyamfi Amoako

, Anou Somboro and

Elliasu Salifu

submission deadline 30 Nov 2026 | Viewed by 291 | Submission Open

Keywords: drug discovery; structural biology; molecular docking; molecular dynamics simulations; network pharmacology; X-ray crystallography; medicinal chemistry; virtual screening; drug–target interactions

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

Perovskite Materials for Application in Sustainable Energy Technologies

edited by Ndzondelelo Bingwa

submission deadline 30 Nov 2026 | Viewed by 290 | Submission Open

Keywords: perovskites; renewable energy; photocatalysis; biofuels; hydrogen; metal oxides; heterogeneous catalysis

(This special issue belongs to the Section Materials Chemistry)

Displaying special issue 651-700 on page 14 of 28.

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