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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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Novel Functional Nanomaterials for Energy, Environmental and Sensing Applications

edited by

Jing Hu

, Ming Li and Miao Cheng

submission deadline 31 Aug 2026 | 1 articles | Viewed by 568 | Submission Open

Keywords: gas sensor and device; fluorescence probe; environmental catalysis; environmental monitoring; hydrogen production and safety; energy storage materials

(This special issue belongs to the Section Materials Chemistry)

Natural Products in Antibacterial Research of Plant and Food Extracts

edited by

Wirginia Kukula-Koch

and

Anna Malm

submission deadline 31 Aug 2026 | Viewed by 513 | Submission Open

Keywords: natural compounds; new antibacterials; extraction methods; chemistry; mechanism of action; food preservatives; anti-infectious agents; food-borne bacterial pathogens

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

Toxicological Profiles, Anti-Inflammatory and Anticancer Activities of Plant Extracts

edited by

Hande Sipahi

submission deadline 31 Aug 2026 | 2 articles | Viewed by 504 | Submission Open

Keywords: plant extracts; phytochemicals; natural products; toxicological profiling; safety assessment; cytotoxicity; genotoxicity; oxidative stress; immune response; molecular mechanisms; phytovigilance

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

Chemistry and Pediatric Cancer Therapy: Small Molecules and Protein Degraders in Drug Discovery

edited by Gisele Nishiguchi and

Priyanka Samanta

submission deadline 31 Aug 2026 | Viewed by 469 | Submission Open

Keywords: drug design; small molecules; protein; computational medicinal chemistry; anticancer; medicinal chemistry; biomolecular interactions

(This special issue belongs to the Section Medicinal Chemistry)

New Approaches in the Synthesis of Organophosphorus Compounds

edited by

Jakub Adamek

and

Jacek Nycz

submission deadline 31 Aug 2026 | Viewed by 468 | Submission Open

Keywords: organophosphorus chemistry; P-compounds; reactivity of P-compounds; P-C bond formation; phosphorus-based organocatalysis; phosphonium-based ionic liquids (PILs); mitochondria-targeted triphenylphosphonium-based compounds; bisphosphonates; neutralization of P-compounds; chemical warfare agents; structure elucidation of P-compounds

(This special issue belongs to the Section Organic Chemistry)

Antioxidants from Natural Sources: Current Status and Future Perspective

edited by

Vasiliki Lagouri

submission deadline 31 Aug 2026 | Viewed by 466 | Submission Open

Keywords: natural antioxidants; bioactive compounds; plant extracts; oxidative stress; green extraction; functional foods

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

Functional Foods and Bioactive Ingredients: From Research Through Technology to Product Development

edited by

Zaixiang Lou

submission deadline 31 Aug 2026 | 2 articles | Viewed by 465 | Submission Open

Keywords: functional foods; bioactive ingredients; extraction technologies; bioavailability; food quality; product development

(This special issue belongs to the Section Food Chemistry)

Chemical Analytics for the Discovery and Structural Elucidation of Bioactive Natural Products from Biodiversity

edited by

Valdir Florencio Da Veiga Junior

submission deadline 31 Aug 2026 | Viewed by 463 | Submission Open

Keywords: natural products; chemodiversity; biodiversity; mass spectrometry; chromatography

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

Antioxidant Properties of Bioactive Compounds from Plants

edited by

Dimitra Hadjipavlou-Litina

Ioannis Fotopoulos

and

Olga Tsiftsoglou

submission deadline 31 Aug 2026 | 1 articles | Viewed by 441 | Submission Open

Keywords: reactive oxidant species; antioxidant protocols; antioxidant compounds; factors of influence; diseases

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

Metal Organic Frameworks (MOFs): Current Advances and Future Perspectives

edited by Bhausaheb Dhokale

submission deadline 31 Aug 2026 | Viewed by 429 | Submission Open

Keywords: metal– organic frameworks (MOFs); porous materials; catalysis; gas storage; drug delivery; hybrid materials; post-synthetic modification

(This special issue belongs to the Section Materials Chemistry)

Next-Generation Deep Eutectic Solvents for Sustainable Synthesis and Electrochemical Application

edited by

Maiyong Zhu

submission deadline 31 Aug 2026 | Viewed by 413 | Submission Open

Keywords: deep eutectic solvents; electrosynthesis; energy storage/conversion; chemical synthesis; wearable electronic devices; computation methods

(This special issue belongs to the Section Green Chemistry)

Essential Oils and Their Multifaceted Studies: From Extraction to Applications

edited by

Mozaniel Santana de Oliveira

submission deadline 31 Aug 2026 | Viewed by 405 | Submission Open

Keywords: in silico; in vivo; in vitro; agriculture; food science; medicinal; pharmacological

(This special issue belongs to the Section Food Chemistry)

Isolation and Structure Determination of Bioactive Natural Products, Third Edition

edited by

Aleksandra Szydłowska-Czerniak

submission deadline 31 Aug 2026 | Viewed by 398 | Submission Open

Keywords: primary and secondary plant metabolites; sample preparation methods; hyphenated analytical methods; natural product research; measuring biological activity; structure– activity relationships

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

Computational Approaches in Drug Discovery and Design, 2nd Edition

edited by

Shijun Zhong

submission deadline 31 Aug 2026 | Viewed by 351 | Submission Open

Keywords: combined and integrated approaches in CADD; QM/MM and quantum chemical computations for protein–ligand binding; scoring function; binding free energy; target identification; molecular docking; molecular dynamics simulation; machine learning or deep learning; data fitting; database; pattern recognition; druglikeness; drug design or drug discovery

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

Peptides That Do Things: Bioactive Peptides from Discovery to Application

edited by

Alvaro Siano

and

Fernando Albericio

submission deadline 31 Aug 2026 | Viewed by 344 | Submission Open

Keywords: bioactive peptides; antimicrobial peptides; peptide therapeutics; peptidomimetics; natural peptides; solid-phase peptide synthesis; peptide design; structure– activity relationships; mechanism of action; enzyme inhibition; membrane-active peptides; computational modeling; molecular docking; molecular dynamics; RiPPs; cyclotides; functional biomaterials; neurodegeneration

(This special issue belongs to the Section Bioorganic Chemistry)

Synthesis, Properties, and Applications of Perovskite Nanocrystals and Their Composites

edited by

Qinggang Zhang

and Weilin Zheng

submission deadline 31 Aug 2026 | Viewed by 324 | Submission Open

Keywords: perovskite nanocrystals; composite nanomaterials; novel synthetic strategies; photoluminescence properties; stability enhancement mechanisms; perovskite light-emitting diodes (LEDs); solar cells; lasers; sensors; bioimaging; photodetectors; photocatalysis; radiation detection; flexible electronics; display technology; quantum technology; thermochromism and other optoelectronic devices

(This special issue belongs to the Section Nanochemistry)

Fruits and Vegetables as Prospective Reserves of Bioactive Compounds—Second Edition

edited by

Petras Rimantas Venskutonis

and Milda Pukalskiene

submission deadline 31 Aug 2026 | Viewed by 313 | Submission Open

Keywords: fruits; vegetables; fruit products; vegetable products; fruit processing by-products; vegetable processing by-products; phytochemicals; secondary metabolites; dietary fibre; bioactivities; health-promoting properties; health claims; functional foods; nutraceuticals; synergistic effects

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

Transition Metal Complexes for Small Molecule Bond Activation

edited by

Rebeca Arevalo Seco

and

Michael Findlater

submission deadline 31 Aug 2026 | Viewed by 308 | Submission Open

Keywords: transition metal complex; bond activation; small molecule; functionalization; oxidative addition; metal– ligand and metal– metal cooperation; second coordination sphere interactions

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in Lipid Peroxidation: Mechanisms and Inhibitors

edited by

Zijun Wu

submission deadline 31 Aug 2026 | Viewed by 298 | Submission Open

Keywords: lipid autoxidation; peroxyl radical; redox biology; oxidative stress; antioxidant; ferroptosis

(This special issue belongs to the Section Medicinal Chemistry)

Radiopharmaceutical Chemistry: Developments and Breaks

edited by

Svend Borup Jensen

submission deadline 31 Aug 2026 | 1 articles | Viewed by 292 | Submission Open

Keywords: radiopharmaceutical chemistry; organic; peptide; analytical and metal organic radiochemistry; synthesis machines/synthesizer; radioactive labeling; isotopes; human biochemistry; metabolism/metabolites

(This special issue belongs to the Section Medicinal Chemistry)

Applications of Advanced Functional Materials: Electrocatalysis and Energy

edited by

Rajneesh Kumar Mishra

submission deadline 31 Aug 2026 | Viewed by 290 | Submission Open

Keywords: functional nanomaterials; advanced catalysts; hydrogen evolution reaction (HER); sustainable energy; electrocatalysis; energy conversion

(This special issue belongs to the Section Materials Chemistry)

Recent Advances in Computer-Aided Drug Design and Drug Discovery, 2nd Edition

edited by

John Zhang

and Dingguo Xu

submission deadline 31 Aug 2026 | Viewed by 286 | Submission Open

Keywords: computer-aided drug design; structure-based drug design; ligand-based drug design; fragment-based drug design; pharmacophore; QSAR; molecular modelling; artificial intelligence

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

Antimicrobial Properties of Natural Products—Third Edition

edited by

Raphaël E. Duval

submission deadline 31 Aug 2026 | Viewed by 282 | Submission Open

Keywords: natural products; extracts; fractions; purified compounds; antimicrobial properties; bacteria; virus; fungi

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

Photochemistry in Asia—Second Edition

edited by

Jianzhang Zhao

submission deadline 31 Aug 2026 | Viewed by 282 | Submission Open

Keywords: photochemistry; photophysics; photocatalysts; synthetic photochemistry; photoelectrochemistry; computational photochemistry; luminescent molecular sensors; nanomaterials; electron transfer; energy transfer

(This special issue belongs to the Section Photochemistry)

Advancing Next-Generation Technologies with MXenes, 2nd Edition

edited by Asif Shahzad and

Tej B. Limbu

submission deadline 31 Aug 2026 | Viewed by 277 | Submission Open

Keywords: MAX phase; 2D MXene; MXene derivatives and heterostructures; fluoride-free synthesis; energy storage; EMI; catalysis; water purification; bottom-up approaches; hybrid systems

(This special issue belongs to the Section Materials Chemistry)

Positive and Negative Aspects of Natural Products Research: Isolation, Structure Elucidation and Biological Activities

edited by

Mahmut Miski

İhsan Çalış

and Kishor Mazumder

submission deadline 31 Aug 2026 | Viewed by 273 | Submission Open

Keywords: natural products; isolation techniques; structure elucidation; spectroscopic techniques; quantum-chemistry calculations; molecular docking studies; bioactivity studies

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

Advanced Functional Quantum Dots: Design, Properties and Application

edited by

Łukasz Kaczmarek

and

Piotr Zawadzki

submission deadline 31 Aug 2026 | Viewed by 272 | Submission Open

Keywords: quantum dots; functionalization; quantum modelling; novel materials; nanomaterials

(This special issue belongs to the Section Nanochemistry)

Curcumin Derivatives: Synthesis, Structural Diversity and Biological Potential

edited by Raul G. Enriquez and Marco A. Obregón-Mendoza

submission deadline 31 Aug 2026 | Viewed by 265 | Submission Open

Keywords: curcumin; demethoxycurcumin; bisdemethoxycurcumin; antioxidant activities; anti-cancer activities; anti-Alzheimer disease; curcuminoid metal complexes; curcumin-based fluorescent probes

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

Recent Advances in Immobilization of Bioactive Molecules in Polymeric Materials

edited by

Zlatan Zlatev Denchev

and

Nadya Vasileva Dencheva

submission deadline 31 Aug 2026 | Viewed by 255 | Submission Open

Keywords: immobilization of biomolecules; polymer supports for biomolecules; covalent immobilization; non-covalent immobilization; immobilization by encapsulation/entrapment; stimuli-responsive polymer-based conjugates; molecularly imprinted polymers; biocatalysis with polymer-supported biomolecules; biosensing with polymer-supported biomolecules; drug/gene delivery with polymer-supported biomolecules

(This special issue belongs to the Section Macromolecular Chemistry)

Bio-Based Polymer Composites and Functional Hydrogels for Active Packaging, Drug Delivery, and Wound Healing Applications

edited by

Leonard Ionut Atanase

submission deadline 31 Aug 2026 | Viewed by 251 | Submission Open

Keywords: bio-based polymers; functional hydrogels; active packaging; drug delivery systems; wound healing

(This special issue belongs to the Section Applied Chemistry)

Natural and Synthetic Alkaloids in Drug Discovery

edited by Anna K. Przybył and

Francisco Leon

submission deadline 31 Aug 2026 | Viewed by 250 | Submission Open

Keywords: alkaloids; drug discovery; natural products; synthetic modification; medicinal chemistry; structure– activity relationships; pharmacological potential; biotechnological approaches

(This special issue belongs to the Section Medicinal Chemistry)

Covalent Organic Frameworks for Photocatalysis or Fluorescence Detection

edited by

Long Hao

and Bing Han

submission deadline 31 Aug 2026 | Viewed by 241 | Submission Open

Keywords: covalent organic framework (COF); photocatalysis; water splitting; CO2 reduction; H2O2 production; fluorescence detection

(This special issue belongs to the Section Photochemistry)

Design, Synthesis, and Application of Functional Nanomaterials in Environmental Analysis and Agriculture Protection

edited by

Jiangjiang Gu

submission deadline 31 Aug 2026 | Viewed by 238 | Submission Open

Keywords: functional nanomaterials; environmental analytical chemistry; environmental pollutants; agriculture protection; abiotic and biotic stress; response mechanisms; analytical techniques

(This special issue belongs to the Section Materials Chemistry)

New Sights in Stereoselective Synthesis

edited by

Maurizio Benaglia

Fabrizio Medici

and Francesca Franco

submission deadline 31 Aug 2026 | Viewed by 235 | Submission Open

Keywords: asymmetric synthesis; organocatalysis; metal-based catalysts; chiral reagents; enzymatic reactions; synthesis in alternative biodegradable solvents; light-driven reactions; biocatalysis; electrochemical organic synthesis; continuous flow reactions

(This special issue belongs to the Section Organic Chemistry)

Extraction and Adsorption of Chemicals from Wastewater

edited by Peng Liu,

Mohammed Baalousha

and

Yongchang Sun

submission deadline 31 Aug 2026 | Viewed by 227 | Submission Open

Keywords: environmental depollution; adsorption processes; catalytic decontamination; porous and layered materials; characterization methods; adsorption removal

(This special issue belongs to the Section Green Chemistry)

Advanced Adsorbent Materials for Environmental Applications

edited by

Angelo Fenti

and

Pasquale Iovino

submission deadline 31 Aug 2026 | Viewed by 224 | Submission Open

Keywords: advanced adsorbents; MOFs/COFs and porous carbons; PFAS and emerging contaminants; adsorption mechanisms and kinetics; regeneration and stability; hybrid processes (photocatalysis and membranes); green synthesis

(This special issue belongs to the Section Applied Chemistry)

Surfactants—SWOT Portfolio

edited by

Tanja Pušić

and

Tihana Dekanić

submission deadline 31 Aug 2026 | Viewed by 222 | Submission Open

Keywords: surfactants; surfaces; adsorption; formulations; ecological approach; environmental assessment

(This special issue belongs to the Section Physical Chemistry)

Functional Polymeric Materials for Molecular Recognition and Bioseparation

edited by

Chunfang Xie

submission deadline 31 Aug 2026 | Viewed by 220 | Submission Open

Keywords: functional polymeric materials; molecularly imprinted polymers; smart/responsive polymers; biomimetic interfaces; affinity polymers; surface-imprinted materials; hydrogels; membranes; bioseparation; affinity chromatography; membrane separation; integrated system; continuous bioprocessing

(This special issue belongs to the Section Macromolecular Chemistry)

Nanomaterials for Advanced Electrodes

edited by Le Li and

Charles C. Chusuei

submission deadline 31 Aug 2026 | Viewed by 218 | Submission Open

Keywords: nanomaterials; electrodes; electrochemistry; surface and interface chemistry; electrocatalysis; electrochemical analysis

(This special issue belongs to the Section Electrochemistry)

Novel Biochemical Processes for Treatment and Valorization of Wastes and Biomass—Second Edition

edited by

Georgia Antonopoulou

and Michail Fountoulakis

submission deadline 31 Aug 2026 | Viewed by 217 | Submission Open

Keywords: waste/biomass; valorization; biochemical processing; feedstocks; biocatalysts; biochemical approach

(This special issue belongs to the Section Green Chemistry)

Natural Products as Enzyme Inhibitors: Chemical Characterization and Bioactivity

edited by Niko Radulović and

Dragan Zlatkovic

submission deadline 31 Aug 2026 | Viewed by 216 | Submission Open

Keywords: natural products; enzyme inhibitors; chemical characterization; GC-MS; enzyme kinetics; molecular docking; QSAR; structure-activity relationships

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

Advances in Targeted Delivery of Nanomedicines, 2nd Edition

edited by

Sreejesh Sreedharan

submission deadline 31 Aug 2026 | Viewed by 214 | Submission Open

Keywords: nanomedicines; drug delivery; target delivery; nanoscience; cancer signaling

(This special issue belongs to the Section Medicinal Chemistry)

Pharmacological Effects of Natural Products: Antioxidant, Anti-Inflammatory and Anticancer Activities, 2nd Edition

edited by

Juan Carlos Sepúlveda-Arias

submission deadline 31 Aug 2026 | Viewed by 212 | Submission Open

Keywords: natural products; plant extracts; phytochemical inflammatory diseases; oxidative stress; cancer; biological activity; drug discovery

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

Sustainable Chemistry with Organophosphorus Compounds

edited by

Petri A. Turhanen

submission deadline 31 Aug 2026 | Viewed by 211 | Submission Open

Keywords: organophosphorus compounds; phosphonates; phosphinates; phosphazenes; bisphosphonates; sustainable chemistry

(This special issue belongs to the Section Green Chemistry)

Lipids and Surfactants in Drug Discovery, Development and Delivery Systems

edited by

Katarina Nikolić

and

Marija Popovic-Nikolic

submission deadline 31 Aug 2026 | Viewed by 211 | Submission Open

Keywords: micelles; liposomes; micro- and nano-emulsions; solubility; physicochemical and pharmacokinetic properties; drug design; controlled release; drug discovery; drug development

(This special issue belongs to the Section Medicinal Chemistry)

Chemistry and Biological Activities of Lichens and Fungi

edited by

Agnieszka Galanty

submission deadline 31 Aug 2026 | Viewed by 209 | Submission Open

Keywords: lichens; fungi; metabolites; bioactivity; structural elucidation; metabolomics; biotechnology

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

Heterocyclic Compounds Against Cancer and Neurodegenerative Diseases

edited by

Elena Cichero

submission deadline 31 Aug 2026 | Viewed by 209 | Submission Open

Keywords: cancer; neuroprotection; drug; modeling; drug design

(This special issue belongs to the Section Medicinal Chemistry)

Next-Generation Metal Halides: Luminescence, Stability, and Device Applications

edited by Rastgo Hawrami

submission deadline 31 Aug 2026 | Viewed by 208 | Submission Open

Keywords: metal halide perovskites; lead-free metal halides; photoluminescence; self-trapped excitons (STEs); stability engineering; passivation strategies; light-emitting diodes (LEDs); photodetectors; dimensionality engineering; ion migration; defect physics; scalable synthesis and device integration

(This special issue belongs to the Section Photochemistry)

Nature-Inspired Drug Discovery

edited by

Stefano D’Errico

submission deadline 31 Aug 2026 | Viewed by 195 | Submission Open

Keywords: nature-inspired drug discovery; natural products; bioinspired medicinal chemistry; biomimetic synthesis; natural product-inspired scaffolds; semi-synthetic compounds; chemical biology; structure– activity relationships (SARs); molecular recognition; marine natural products; plant- and microbial-derived scaffolds; nucleic acid-targeting ligands; enzyme and receptor modulation; computational drug design

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

Protein Molecules for Human Health: Nutritional and Functional Insights

edited by