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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 the Mass Spectrometry of Chemical and Biological Samples, 2nd Edition

edited by

Alina Florina Serb

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1526 | Submission Open

Keywords: sample preparation, extraction, and ionization techniques; targeted and untargeted MS-based methods; high-resolution mass spectrometry (HRMS); MS-based omics; MS imaging; MS-based biomarker discovery and clinical diagnosis; MS-based drug development and toxicity monitoring; MS-based analysis of microbiome; MS in food chemistry and control; MS in forensic science; MS in cosmetic science; MS in environmental science; miniature MS systems; MS applications in nanomaterials development; MS applications in synthetic chemistry

(This special issue belongs to the Section Analytical Chemistry)

Research Advances in Li-Ion Battery Materials: Present and Future

edited by

Li Du

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1519 | Submission Open

Keywords: lithium-ion battery; anode materials; cathode materials; characterization

(This special issue belongs to the Section Applied Chemistry)

Exploring Agri-Food By-Products: From Novel Extraction to Bioactive Properties

edited by

Branimir Pavlic

submission deadline 31 Aug 2026 | 3 articles | Viewed by 1515 | Submission Open

Keywords: agri-food by-products; bioactive compounds; novel extraction methods; phytochemicals; antioxidant properties

(This special issue belongs to the Section Food Chemistry)

Novel Functional Nanomaterials for Energy, Environmental and Sensing Applications

edited by

Jing Hu

, Ming Li and Miao Cheng

submission deadline 31 Aug 2026 | 3 articles | Viewed by 1482 | 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)

Photocatalysis for Organic Pollutants Degradation

edited by

Wanhong Ma

and

Zhen Wan

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1430 | Submission Open

Keywords: photocatalytic degradation of organic pollutants in waters; design and preparation of photocatalyst; homo- and heterogeneous photo-catalyzed process; intermediate fragments and intermediate organic pollutants; reactive oxygen species (ROS)

(This special issue belongs to the Section Photochemistry)

Biologically Active Molecules from Microbes and Plants

edited by

Ritesh Raju

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1426 | Submission Open

Keywords: isolation; structural characterization; biological profiling; biological activity; anti-inflammatory; anti-bacterial; anti-cancer; secondary metabolite; microbe; plant; natural product; drug discovery; bio-discovery

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

From Functionalization to Medical Applications of Polymer Materials

edited by

Paolo Coghi

and

Carmine Coluccini

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1425 | Submission Open

Keywords: polymer functionalization; medical applications; drug delivery; tissue engineering; theranostic medicine

(This special issue belongs to the Section Materials 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 1400 | Submission Open

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

(This special issue belongs to the Section Food Chemistry)

Advances in Chemical Analysis Procedures (Part III): Future Trends in Reducing the Environmental Impact

edited by

and Fotouh Rashed

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1346 | Submission Open

Keywords: green approaches; analytical chemistry; instrumental analysis; sample preparation; quantitative analysis; AI; tools; metrics

(This special issue belongs to the Section Analytical Chemistry)

Molecular Dynamics for Chemical Reactions

edited by

Irmgard Frank

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1275 | Submission Open

Keywords: ab initio molecular dynamics; reactive dynamics; highly reactive systems

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

Surface Modification of Materials and Their Applications

edited by

Yi Zhang

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1268 | Submission Open

Keywords: chemical functionalization; surface modification; catalysis; biotechnology; advanced manufacturing; environment

(This special issue belongs to the Section Materials Chemistry)

Chemistry and Biological Activities of Lichens and Fungi

edited by

Agnieszka Galanty

submission deadline 31 Aug 2026 | 2 articles | Viewed by 1255 | Submission Open

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

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

Synthesis and Applications of Nanoparticles and Multifunctional Nanocomposites, 2nd Edition

edited by Iulia Ioana Lungu and

Florian V. Dumitrache

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1249 | Submission Open

Keywords: nanoparticles; nanocomposites; synthesis; multifunctional platforms

(This special issue belongs to the Section Nanochemistry)

Biomass-Derived Materials: From Molecular Design to Sustainable Applications

edited by

Paula Berton

and

Julia L. L. Shamshina

submission deadline 31 Aug 2026 | 2 articles | Viewed by 1245 | Submission Open

Keywords: biomass-derived materials; renewable feedstocks; molecular design; green synthesis; sustainable materials; biopolymers; biochars and activated carbons; functional composites; circular economy

(This special issue belongs to the Section Green Chemistry)

Chemical Synthesis and Biological Activity of Aromatic Amino Acid Derivatives

edited by Luigi Longobardo and

Armando Zarrelli

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1171 | Submission Open

Keywords: aminobenzoic acid; chemical synthesis; organic synthesis; structural modification; pharmacological properties; drug discovery; structure–activity relationship (sar); antimicrobial activity; anti-inflammatory agents; anticancer compounds; green chemistry; medicinal chemistry; functionalization strategies; synthetic methodologies; bioactive molecules; therapeutic potential

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in Supramolecular and Surface Photochemistry

edited by

Shipra Gupta

and

Mahesh Pattabiraman

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1090 | Submission Open

Keywords: supramolecular photochemistry; organic photochemistry; photochemical synthesis; medicinal uses of photochemistry; biomolecular photochemistry; photochemical reaction mechanisms; photochemistry in confined spaces

(This special issue belongs to the Section Photochemistry)

Analytical Methods for Safety and Quality Control of Functional Food

edited by

Yawen Zeng

and Yongxin She

submission deadline 31 Aug 2026 | 2 articles | Viewed by 1059 | Submission Open

Keywords: functional foods; food analytical methods; food safety; food quality; functional food production; GC-MS; volatile components

(This special issue belongs to the Section Food Chemistry)

Natural and Synthetic Alkaloids in Drug Discovery

edited by Anna K. Przybył and

Francisco Leon

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1056 | 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)

Aroma and Volatile Compounds from Foods

edited by

Tao Feng

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1041 | Submission Open

Keywords: aroma compounds; volatile organic compounds (VOCs); food flavor; gas chromatography–mass spectrometry (GC-MS); odor activity value (OAV); food quality; food processing; sensory analysis

(This special issue belongs to the Section Flavours and Fragrances)

Novel Strategies in Drug Discovery of Parasitic Diseases

edited by

Rafael Balana-Fouce

and

Celia Fernández-Rubio

submission deadline 31 Aug 2026 | 1 articles | Viewed by 1010 | Submission Open

Keywords: parasitic diseases; drug discovery; antiparasitic agents; drug resistance; molecular targets; natural products; computational drug design; drug repurposing

(This special issue belongs to the Section Medicinal Chemistry)

Protein Molecules for Human Health: Nutritional and Functional Insights

edited by

Carla Susana Correia Pereira

and

Maria Gabriela Leichtweis

submission deadline 31 Aug 2026 | 1 articles | Viewed by 995 | Submission Open

Keywords: proteins; protein quality; nutritional quality; functional properties; sustainable sources

(This special issue belongs to the Section Food Chemistry)

Photochemistry in Asia—Second Edition

edited by

Jianzhang Zhao

submission deadline 31 Aug 2026 | 1 articles | Viewed by 985 | 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)

Self-Assembly in Supramolecular Chemistry: From Fundamentals to Applications

edited by

Jiong Zhou

and Jiarui Wu

submission deadline 31 Aug 2026 | 1 articles | Viewed by 972 | Submission Open

Keywords: supramolecular self-assembly; macrocyclic hosts; stimuli-responsive systems; host–guest chemistry; functional materials; supramolecular 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 | 1 articles | Viewed by 968 | Submission Open

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

(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 | 1 articles | Viewed by 952 | 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)

Peptides That Do Things: Bioactive Peptides from Discovery to Application

edited by

Alvaro Siano

and

Fernando Albericio

submission deadline 31 Aug 2026 | 1 articles | Viewed by 898 | 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)

Curcumin Derivatives: Synthesis, Structural Diversity and Biological Potential

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

submission deadline 31 Aug 2026 | 1 articles | Viewed by 837 | 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)

Dietary Bioactive Compounds: Analytical Challenges and Health Perspectives

edited by

Valentina Melini

submission deadline 31 Aug 2026 | 1 articles | Viewed by 837 | Submission Open

Keywords: dietary bioactive compounds; analytical methods; bioaccessibility; bioavailability; functional foods

(This special issue belongs to the Section Food 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 809 | Submission Open

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

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

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

edited by

Petras Rimantas Venskutonis

and Milda Pukalskiene

submission deadline 31 Aug 2026 | 1 articles | Viewed by 798 | 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 | 1 articles | Viewed by 776 | 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)

Synthesis, Characterization and Biological Evaluation of Metal-Based Compounds and Their Advanced Delivery Systems

edited by

Eleftherios Halevas

submission deadline 31 Aug 2026 | 1 articles | Viewed by 760 | Submission Open

Keywords: medicinal inorganic chemistry; metallodrugs; drug delivery systems; bioinorganic chemistry; nanomedicine; metal-based therapeutics; targeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

New Sights in Stereoselective Synthesis

edited by

Maurizio Benaglia

Fabrizio Medici

and Francesca Franco

submission deadline 31 Aug 2026 | 1 articles | Viewed by 718 | 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)

Characterization and Instrumental Analysis of Aroma-Active Compounds in Fermented Food and Beverage, the Third Edition

edited by

Yanping L. Qian

submission deadline 31 Aug 2026 | 1 articles | Viewed by 691 | Submission Open

Keywords: fermentation; fermented food production; fermented food flavor; aroma characterization; gas chromatography–mass spectrometry/olfactory (GC-MS/O); sensorial properties; HS-SPME; stir bar and thin-film sorptive extraction

(This special issue belongs to the Section Flavours and Fragrances)

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 662 | 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)

New Approaches in the Synthesis of Organophosphorus Compounds

edited by

Jakub Adamek

and

Jacek Nycz

submission deadline 31 Aug 2026 | Viewed by 630 | 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 588 | 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)

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 538 | 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)

Microwave and Ultrasound Technologies in Chemical Reactions

edited by

Qinglong Xie

submission deadline 31 Aug 2026 | 1 articles | Viewed by 536 | Submission Open

Keywords: microwave chemistry; sonochemistry; process intensification; reaction mechanisms; organic synthesis; synergistic effects; green chemistry

(This special issue belongs to the Section Green Chemistry)

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

edited by

Maiyong Zhu

submission deadline 31 Aug 2026 | Viewed by 515 | 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 510 | 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 488 | 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 477 | 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)

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

edited by

Qinggang Zhang

and Weilin Zheng

submission deadline 31 Aug 2026 | Viewed by 383 | 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)

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 373 | Submission Open

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

(This special issue belongs to the Section Applied 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 366 | 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)

Advancing Next-Generation Technologies with MXenes, 2nd Edition

edited by Asif Shahzad and

Tej B. Limbu

submission deadline 31 Aug 2026 | Viewed by 364 | 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)

Antimicrobial Properties of Natural Products—Third Edition

edited by