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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 European Materials Chemistry

edited by

Ana Ines Fernandez Renna

Marinella Striccoli

and

Marco Anni

submission deadline 30 Jun 2026 | 1 articles | Viewed by 610 | 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)

Heterocyclic Molecules in Drug Discovery

edited by

Beata Morak-Młodawska

submission deadline 30 Jun 2026 | 1 articles | Viewed by 604 | Submission Open

Keywords: organic synthesis of bioactive heterocyclic compounds; structural analysis of heterocycles; biological activity of heterocycles; ADME properties of heterocycles; in silico analysis and experimental analysis of heterocyclic molecules

(This special issue belongs to the Section Medicinal Chemistry)

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

edited by

Wenjin Li

and

Ruoxu Gu

submission deadline 30 Jun 2026 | 1 articles | Viewed by 546 | 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)

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 487 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

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

edited by

Xiaowei Li

submission deadline 30 Jun 2026 | 1 articles | Viewed by 484 | 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)

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

edited by

Annalisa Martucci

and

Maura Mancinelli

submission deadline 30 Jun 2026 | Viewed by 467 | 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)

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

edited by

Szymon Szufa

submission deadline 30 Jun 2026 | Viewed by 318 | Submission Open

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

Plant-Based Bioactives and Sustainable Sources: Unlocking the Potential of Underutilized Resources

edited by

Ali Rashidinejad

and

Mirja Kaizer Ahmmed

submission deadline 30 Jun 2026 | Viewed by 302 | Submission Open

Keywords: valorization of agricultural and food processing by-products as sources of bioactives; extraction and purification techniques for plant-derived bioactive compounds; bioactive peptides and polyphenols from underutilized or wild plant species; functional and health-promoting properties of plant-based bioactives; sustainable biorefinery approaches for bioactive recovery; In vitro and in vivo evaluation of bioactivity (e.g.; antioxidant; anti-inflammatory; antimicrobial); applications in functional foods; nutraceuticals; and cosmeceuticals; environmental and economic assessments of sustainable bioactive sourcing

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

Advances in Porous Organic Materials: Syntheses, Structures and Applications

edited by Tianqiong Ma, Wankai An and

Ying-Wei Yang

submission deadline 30 Jun 2026 | Viewed by 272 | Submission Open

Keywords: porous organic materials; porous organic polymers (POPs); covalent organic frameworks (COFs); conjugated microporous polymers (CMPs); porous aromatic frameworks (PAFs); polymers of intrinsic microporosity (PIMs); hyper-cross-inked polymers (HCPs); porous organic cages

(This special issue belongs to the Section Materials Chemistry)

Advances in Solid-State Culture for Obtaining Bioactive Molecules

edited by

Jose Juan Buenrostro Figueroa

and

Fernando Méndez-González

submission deadline 30 Jun 2026 | Viewed by 260 | Submission Open

Keywords: solid-state culture; bioactive molecules; bioactive compounds characterization; biomanufacturing process design; bioprocess optimization

Microbe Metabolites as Functional and Bioactive Components in Food

edited by

Katarzyna Pobiega

submission deadline 30 Jun 2026 | Viewed by 251 | Submission Open

Keywords: microbial metabolites; functional food; bioactive compounds; fermentation; gut microbiota; single-cell protein; microbial lipids; natural pigments; probiotics

Synthesis, Characterization and Anticancer Activities of Metal Complexes

edited by

Burgert Blom

submission deadline 30 Jun 2026 | Viewed by 245 | Submission Open

Keywords: in vitro activity; in vivo activity; metal complex; biological studies; anticancer activity; bimetallic complexes; mechanistic studies

(This special issue belongs to the Section Inorganic Chemistry)

Modern Sample Preparation Approaches for Separation Science, 2nd Edition

edited by

Nuno Neng

submission deadline 30 Jun 2026 | Viewed by 243 | 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 Advances in Cannabis and Hemp Research—2nd Edition

edited by

Arjun H. Banskota

submission deadline 30 Jun 2026 | Viewed by 243 | Submission Open

Keywords: Cannabis sativa; hemp; cannabinoids; terpenes; phenolics; secondary metabolites; by-products; biological activity; protein; polysaccharide

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

Synthesis and Characterization of Heterocycles with Potential Applications

edited by

Maria João Queiroz

submission deadline 30 Jun 2026 | Viewed by 241 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

New Insights into Porous Carbon Materials for a Sustainable Future

edited by

Dipendu Saha

submission deadline 30 Jun 2026 | Viewed by 240 | Submission Open

Keywords: porous carbon materials; biomass-derived carbon; waste-to-carbon; energy storage; carbon capture; supercapacitors; green synthesis; functionalized carbon; environmental applications

Terpenes, Steroids and Their Derivatives, 3rd Edition

edited by

Pavel B. Drasar

submission deadline 30 Jun 2026 | Viewed by 238 | Submission Open

Keywords: terpene and steroid chemistry; biochemistry; repurposing; and practical utilization; terpene and steroid derivative synthesis; isolation and analysis of terpenes and steroids; terpene and steroid medicinal; as well as cosmetic; utilization; fluorescent labelling; bio-imaging

Insight into Organic Semiconductor Materials

edited by Runfeng Chen and Chao Zheng

submission deadline 30 Jun 2026 | 1 articles | Viewed by 218 | 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)

Advances in Computer-Aided Drug Design and Synthesis

edited by

Jorddy N. Cruz

submission deadline 30 Jun 2026 | Viewed by 205 | Submission Open

Keywords: natural products; extraction; pharmacological potential; biological activities

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

edited by

Domenico Trombetta

and

Antonella Smeriglio

submission deadline 30 Jun 2026 | Viewed by 203 | 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)

Applications of Natural Polymers in Biomedicine

edited by

Katarzyna Lewandowska

submission deadline 30 Jun 2026 | Viewed by 199 | Submission Open

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

(This special issue belongs to the Section Medicinal 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 | Viewed by 190 | 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)

Novel Flame Retardant Materials

edited by

Qing-Hong Kong

submission deadline 30 Jun 2026 | Viewed by 188 | Submission Open

Keywords: novel flame retardants; flame-retardant polymers; bio-based flame retardants; flame-retardant coatings; environmentally friendly flame-retardant textiles; flame-retardant nanocomposites; flame retardant mechanism research

(This special issue belongs to the Section Materials Chemistry)

Bioavailability of Bioactive Food Compounds

edited by

Sylwia Mildner-Szkudlarz

and

Maria Barbara Różańska

submission deadline 30 Jun 2026 | Viewed by 185 | 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)

Nicotinamide Adenine Dinucleotide (NAD) Metabolism and Related Drug Compounds (Second Edition)

edited by

Giuseppe Orsomando

and

Riccardo Petrelli

submission deadline 30 Jun 2026 | Viewed by 182 | Submission Open

Keywords: NAD metabolism; NAD enzymology; NAD biosynthesis; NAD degradation; pyridine drugs; niacin; vitamin B3; drug discovery; NAD-based therapeutics

(This special issue belongs to the Section Chemical Biology)

Nanotechnology in the Development of Battery Materials

edited by

Tao Wang

, Xiaoli Fan and Xianguang Meng

submission deadline 30 Jun 2026 | Viewed by 175 | Submission Open

Keywords: nanotechnology; batteries; Li/Na/K/Ca/Mg/Al battery; fuel cell; metal-air battery; solar cell; solid-state battery

(This special issue belongs to the Section Nanochemistry)

X-Ray Spectroscopy of Biomolecules

edited by Lucas Schwob, Sadia Bari and Marta Berholts

submission deadline 30 Jun 2026 | Viewed by 166 | Submission Open

Keywords: X-ray spectroscopy; biomolecules; structure-function relationship; time-resolved spectroscopy; core-level ionization; electronic structure and dynamics; charge migration; theoretical modeling

(This special issue belongs to the Section Analytical Chemistry)

Molecular Spectroscopy and Molecular Structure

edited by

Yu Zhou

Zhiwu Yu

and Yukihiro Ozaki

submission deadline 30 Jun 2026 | Viewed by 164 | Submission Open

Keywords: molecular spectroscopy; molecular structure; applications in biological sciences; applications in materials science; molecular interaction; hydrogen bonds; methodological development; quantum chemical calculation

(This special issue belongs to the Section Photochemistry)

Synthesis and Characterization of Hybrid Biomaterials for Life Sciences

edited by

Michelina Catauro

Antonio D’Angelo

and

Marika Fiorentino

submission deadline 30 Jun 2026 | Viewed by 161 | 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)

Research and Application of Plant Sourced Polysaccharides—3rd Edition

edited by

Xiaolong Ji

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

Keywords: polysaccharide; characterization; structure; physiochemical properties; functional activity

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

Bioactive Secondary Metabolites in Natural Products

edited by

Bożena Muszyńska

and

Katarzyna Sułkowska-Ziaja

submission deadline 30 Jun 2026 | Viewed by 145 | 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)

Functional Foods: Bioactive Compounds, Antioxidants and Anti-Inflammatory Activities, 2nd Edition

edited by

Mirjana B. Pešić

Bojana Vidović

and

Danijel D. Milinčić

submission deadline 30 Jun 2026 | Viewed by 142 | Submission Open

Keywords: functional foods; bioactive compounds; antioxidants; anti-inflammatory; nutraceuticals; isolation of bioactives; interactions of bioactives; food matrix; bioaccessibility; bioavailability

(This special issue belongs to the Section Food Chemistry)

Nanocarriers for Diagnostics, Imaging and Drug Delivery

edited by Jie Pan and Yonghui Liu

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

Keywords: nanocarriers; diagnostics; imaging; drug delivery; targeted therapy

(This special issue belongs to the Section Nanochemistry)

Molecular Docking, Molecular Dynamics and Antiparasitic Evaluations of Natural Products

edited by

Emmanuel Silva Marinho

and Márcia Machado Marinho

submission deadline 30 Jun 2026 | Viewed by 132 | Submission Open

Keywords: natural products; molecular docking; molecular dynamics; antiprotozoal; virtual screening; drug discovery

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

Advances in Molecular Targets and Signaling Pathways for Drug Discovery

edited by

Annette Kaiser

submission deadline 30 Jun 2026 | Viewed by 131 | Submission Open

Keywords: medicinal chemistry; novel chemical scaffolds against molecular targets; new chemical ligands of receptors; chemical compounds in drug delivery

(This special issue belongs to the Section Medicinal Chemistry)

Perovskite Materials for Application in Sustainable Energy Technologies

edited by Ndzondelelo Bingwa

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

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

(This special issue belongs to the Section Materials Chemistry)

Analysis and Application of Bioactive Compounds in Functional Foods

edited by

Adele Papetti

submission deadline 30 Jun 2026 | Viewed by 119 | Submission Open

Keywords: nutritional bioactive compounds; non-nutritional bioactive compounds; functional foods development; food supplement; green extraction approach; new analytical methods; bioaccessibility; bioavailability

(This special issue belongs to the Section Food Chemistry)

Plant Natural Products: From Classical to (Bio)Technological and AI Research

edited by

Jennifer Munkert

and

Thanet Pitakbut

submission deadline 30 Jun 2026 | Viewed by 114 | Submission Open

Keywords: extraction and bioassay-guided isolation; bioactivities (communicable diseases like infections and non-communicable diseases like cancer; hyperglycemia; hypertension; diabetes; and hyperpigmentation); plant biosynthetic enzymes; green extraction technology; plant metabolomics and proteomics; molecular simulation (molecular docking and molecular dynamics); chemoinformatics (SAR and QSAR); AI (machine learning and deep learning)

(This special issue belongs to the Section Natural Products 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 | Viewed by 108 | 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)

Biologically Active Nitrogen-Containing Heterocyclic Compounds

edited by Monika Wujec and Sara Janowska

submission deadline 30 Jun 2026 | Viewed by 107 | Submission Open

Keywords: nitrogen-containing heterocyclic compounds; biological activity; drug design; molecular docking; synthesis; structure– activity relationship (SAR); medicinal chemistry; bioactive molecule

(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 | Viewed by 107 | 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)

Fluorescent Molecular Tools for Neuroscience Research

edited by Sheng Xie

submission deadline 30 Jun 2026 | Viewed by 98 | 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)

The Electrochemical Oxidation of Small Organic Molecules

edited by

Jelena D. Lović

and Sanja Stevanovic

submission deadline 30 Jun 2026 | Viewed by 98 | Submission Open

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

(This special issue belongs to the Section Electrochemistry)

New Achievements and Challenges in Food Chemistry, 2nd Edition

edited by

Jie Chen

and Qiuming Chen

submission deadline 30 Jun 2026 | Viewed by 97 | 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)

Design, Synthesis, and Photochemical Studies of Functional Dyes

edited by Liang Han

submission deadline 30 Jun 2026 | Viewed by 96 | 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)

Natural Product Leads for Managing Metabolic Diseases

edited by

Solomon Habtemariam

submission deadline 30 Jun 2026 | Viewed by 94 | Submission Open

Keywords: diabetes; metabolic syndrome; metabolic diseases; natural products; mechanisms; drug discovery

(This special issue belongs to the Section Natural Products 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 | Viewed by 93 | 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)

Advances in Environmental Remediation and Wind–Sand Stabilization Materials

edited by

Baoshou Shen

submission deadline 30 Jun 2026 | Viewed by 93 | 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)

Deep Eutectic Solvents: Properties, Applications and Perspectives

edited by

Ana Rita C. Duarte

and

Tiancheng Mu

submission deadline 30 Jun 2026 | Viewed by 91 | 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)

Advances in Supramolecular Systems for Biomolecular Recognition

edited by Liping Cao and

Evgeny Kataev

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

Keywords: supramolecular systems; biomolecular recognition; host-guest interactions; molecular sensors; drug delivery; molecular scaffolds; biomolecular diagnostics; therapeutic applications

(This special issue belongs to the Section Molecular Structure)

Displaying special issue 801-850 on page 17 of 24.

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