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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 Crystalline Materials: Structure, Properties, and Application

edited by

Adam Szukalski

submission deadline 15 May 2026 | Viewed by 39 | Submission Open

Keywords: functional crystalline materials; structure-property relationships; metal– organic frameworks (MOFs); covalent organic frameworks (COFs); hybrid perovskites; photonics and optoelectronics; energy storage and conversion; biomaterials applications

(This special issue belongs to the Section Materials Chemistry)

Natural Bioactives and Functional Ingredients in Foods

edited by

Cristina Caleja

submission deadline 16 May 2026 | 1 articles | Viewed by 554 | Submission Open

Keywords: natural bioactive compounds; functional food ingredients; health-promoting foods; nutraceuticals; food innovation

(This special issue belongs to the Section Food Chemistry)

The State-of-the-Art in Improving the Antitumor Efficacy of Platinum Drugs

edited by

Mauro Ravera

and

Elisabetta Gabano

submission deadline 20 May 2026 | 1 articles | Viewed by 3568 | Submission Open

Keywords: bioinorganic chemistry; metal-based drugs; pt coordination compounds; pharmacodynamics; pharmacokinetics

(This special issue belongs to the Section Medicinal Chemistry)

Application of Organic Synthesis to Bioactive Compounds, 3rd Edition

edited by

Mª Ángeles Castro

and

David Díez

submission deadline 20 May 2026 | Viewed by 70 | Submission Open

Keywords: natural products; organic synthesis; bioactive compounds; chemotherapy; artificial intelligence; chemo-enzymatic

(This special issue belongs to the Section Organic Chemistry)

Green Analytical Chemistry: From Sample Preparation to Detection

edited by

Victoria Samanidou

and

Irene Panderi

submission deadline 30 May 2026 | 1 articles | Viewed by 5130 | Submission Open

Keywords: green chemistry; green analytical chemistry; green sample preparation; microextraction techniques; pharmaceutical analysis; bioanalysis; metric tools; miniaturization; automated techniques; sustainable analytical workflows

(This special issue belongs to the Section Analytical Chemistry)

Studies in Polymer Degradation

edited by

Anna Raffaela de Matos Costa

, Edcleide Maria Araujo and Bastos Y. M. De Almeida

submission deadline 30 May 2026 | Viewed by 220 | Submission Open

Keywords: degradation mechanisms; photooxidation; thermal degradation; upcycling technologies and additivities

(This special issue belongs to the Section Macromolecular Chemistry)

Innovative Materials for Wastewater Treatment Applications

edited by

Anastasia D. Pournara

Manolis Manos

and

Dimosthenis Giokas

submission deadline 30 May 2026 | Viewed by 183 | Submission Open

Keywords: wastewater treatment; heavy metal removal; adsorption and ion exchange; metal– organic frameworks (MOFs); metal sulfide sorbents; nanomaterials; functionalized composites; emerging pollutants

(This special issue belongs to the Section Materials Chemistry)

Emerging Contaminants and Their Transformation Products in the Environment: Advanced Analytical Methods for Assessing Ecological and Human Health Impacts

edited by

Maria Feo

submission deadline 30 May 2026 | Viewed by 86 | Submission Open

Keywords: emerging contaminants; transformation products; analytical methods; ecological impact; human health risk; contaminant fate; environmental monitoring

(This special issue belongs to the Section Analytical Chemistry)

Flavors and Fragrances in China

edited by

Shuang Chen

submission deadline 30 May 2026 | Viewed by 74 | Submission Open

Keywords: Chinese foods; flavor chemistry; flavor analysis; GC– MS/olfactometry; Chinese baijiu

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

Effect of Natural Products in the Cancer Therapy Mechanism—2nd Edition

edited by

Maciej Tarnowski

submission deadline 30 May 2026 | Viewed by 56 | Submission Open

Keywords: anticancer activities; therapeutic potential of plants; phytochemicals; natural products; apoptosis; metastasis; angiogenesis; molecular mechanisms; alkaloids; terpenoids; polyphenols

(This special issue belongs to the Section Chemical Biology)

Advancing Polyethylene Glycol as a Green Solvent in Chemical and Engineering Applications

edited by

Markus M. Hoffmann

submission deadline 30 May 2026 | Viewed by 55 | Submission Open

Keywords: polyethylene glycol; PEGylated chemicals; fundamental research on PEG; PEG as a chemical solvent; PEG in deep eutectic solvents; PEG in mixed solvents; PEG centered applications

(This special issue belongs to the Section Molecular Liquids)

Recent Advances in Protein Crystallography Methods and Instrumentation

edited by

Eugenia Pechkova

submission deadline 30 May 2026 | Viewed by 35 | Submission Open

Keywords: protein crystallography; advanced crystallization techniques; advanced X-ray sources; X-ray free-electron lasers (XFELs); fourth-generation high-brilliance synchrotrons; microcrystals and nanocrystals; radiation damage; time-resolved experiments; cryo-electron microscopy (cryo-EM); advanced crystallization techniques; lipid cubic phase (LCP); microseed matrix screening (MMS); langmuir– Blodgett nanotemplate (LBNT); ultrasound and microwave-assisted crystallization; electro-crystallization; controlled evaporative crystallization; nanocrystallization

(This special issue belongs to the Section Chemical Biology)

Computational Approaches in Antimicrobial and Antiviral Drug Discovery: Deciphering Drug Binding and Molecular Mechanisms

edited by

Mattia Falconi

Alice Romeo

and Simone La Frazia

submission deadline 31 May 2026 | 7 articles | Viewed by 13545 | Submission Open

Keywords: molecular docking; virtual screening; molecular dynamics simulations; artificial intelligence; antimicrobial or antiviral activity; computational drug discovery; molecular mechanisms; experimental assays

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

Current Research Status of Metal-Organic Frameworks and Covalent Organic Frameworks

edited by Teng Zhang and Wenju Wang

submission deadline 31 May 2026 | 6 articles | Viewed by 13378 | Submission Open

Keywords: gas separation; gas storage; catalyst; chemical sensing; biological application; energy storage

(This special issue belongs to the Section Materials Chemistry)

Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective

edited by

Grażyna Zgórka

submission deadline 31 May 2026 | 5 articles | Viewed by 8010 | Submission Open

Keywords: natural bioactive components; extraction techniques; therapeutic and biomedical profiling

(This special issue belongs to the Section Medicinal Chemistry)

Emerging Multifunctional Materials for Next-Generation Energy Systems

edited by

Zhao Ding

and Shicong Yang

submission deadline 31 May 2026 | 5 articles | Viewed by 7630 | Submission Open

Keywords: multifunctional material; self-healing material; smart materials; hybrid material; solar-grade silicon purification; energy conversion and storage

(This special issue belongs to the Section Materials Chemistry)

Advanced Analytical Tools for Characterization and Quality Control of Food, Drugs, and Natural Active Ingredients, 3rd Edition

edited by

Alessandra Biancolillo

and

Angelo Antonio D'Archivio

submission deadline 31 May 2026 | 5 articles | Viewed by 7075 | Submission Open

Keywords: authentication; classification; pharmaceutical drugs; food; quality control; natural products; geographical origin; chemometrics

(This special issue belongs to the Section Analytical Chemistry)

Featured Review Papers in Food Chemistry—2nd Edition

edited by

Fei Tao

submission deadline 31 May 2026 | 3 articles | Viewed by 6347 | Submission Open

Keywords: food analysis; food additives; food supplements; functional foods; physicochemical properties; agro-food wastes recycling; bioaccessibility and bioavailability; food stability; food security

(This special issue belongs to the Section Food Chemistry)

New Strategies for Drug Development

edited by

Danuta Wojcieszyńska

and Ariel Marchlewicz

submission deadline 31 May 2026 | 3 articles | Viewed by 6178 | Submission Open

Keywords: drugs; biosynthesis; biotransformation; natural products; biological activity; bioactive compounds; structure– activity relationship; drug development

(This special issue belongs to the Section Medicinal Chemistry)

Small Molecule Drug Discovery and Development to Face Neurodegenerative Threads

edited by

Maria Maddalena Cavalluzzi

and

Giovanni Lentini

submission deadline 31 May 2026 | 4 articles | Viewed by 6065 | Submission Open

Keywords: neurodegenerative diseases; neuroprotection; drug discovery; synthesis of pharmaceutically relevant compounds; isolation and identification of biologically active natural products; in vitro; ex vivo; and in vivo biological evaluation; molecular docking; drug repositioning

(This special issue belongs to the Section Medicinal Chemistry)

Harnessing Nature’s Chemical Diversity: Innovations in Isolation, Identification, and Synthesis

edited by Niko Radulović and

Marko Z. Mladenović

submission deadline 31 May 2026 | 4 articles | Viewed by 5443 | Submission Open

Keywords: natural product chemistry; phytochemistry and essential oils; isolation and structural elucidation; chromatographic techniques (GC; HPLC; etc.); mass spectrometry (GC-MS; LC-MS; etc.); NMR spectroscopy; analytical chemistry; synthetic and semi-synthetic methods; bioactive compounds and biological activity; medicinal and aromatic plants; chemotaxonomy; chemical ecology and plant defense mechanisms; biotechnological applications; structure– activity relationships (SAR); biomimetic synthesis

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

Phytochemistry, Antioxidants, and Anti-Diabetes

edited by

Valerija Vujčić Bok

, Gordana Rusak and

Ivana Sola

submission deadline 31 May 2026 | 2 articles | Viewed by 4442 | Submission Open

Keywords: bioactive compounds; natural antioxidants; plant extracts; functional foods; nutraceuticals; diabetes

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

Advances in Food Analytical Methods

edited by Yahui Guo

submission deadline 31 May 2026 | 4 articles | Viewed by 4250 | Submission Open

Keywords: food analysis; food component; food contaminant; food additive; functional compound; chromatography; mass spectrometry; spectroscopy; biosensor; chemometrics; AI-based approach; food safety; food authenticity; nutritional quality; food traceability

(This special issue belongs to the Section Food Chemistry)

5th Anniversary of the "Applied Chemistry" Section

edited by

Shaojun Yuan

submission deadline 31 May 2026 | 4 articles | Viewed by 3983 | Submission Open

Keywords: applied chemistry; new molecules and natural materials; solar energy and photo-electro-catalysis; analytical methods and techniques; electrochemistry and energy; biodegradable materials and medicines; environment and green chemistry

(This special issue belongs to the Section Applied Chemistry)

Antimicrobial Compounds and Biocontrol Strategies in Food Microbiology and Safety

edited by

María José Benito

and

Rocío Casquete Palencia

submission deadline 31 May 2026 | 2 articles | Viewed by 3795 | Submission Open

Keywords: antimicrobial compound; natural; synthetic; microbial; application; biocontrol; food; crop; agricultural; pathogenic; spoilage; bacteria; mold; in vitro; in vivo; mechanisms of action; membrane disruption; enzyme inhibition; interference with microbial communication; resistance management

(This special issue belongs to the Section Food Chemistry)

Development and Design of Novel Electrode Materials

edited by

Lei Wang

submission deadline 31 May 2026 | 3 articles | Viewed by 3719 | Submission Open

Keywords: electrode materials; supercapacitors; batteries; electrocatalysis; photovoltaic materials

(This special issue belongs to the Section Electrochemistry)

Exclusive Feature Papers on Molecular Structure, 2nd Edition

edited by

Chan Kyung Kim

submission deadline 31 May 2026 | 3 articles | Viewed by 3640 | Submission Open

Keywords: molecular structure; chemical bonding; molecular clusters; molecular similarity; protein structure prediction; quantum chemistry; spectroscopy; molecular dynamics simulations

(This special issue belongs to the Section Molecular Structure)

Feature Papers in Applied Chemistry: 4th Edition

edited by

Shaojun Yuan

submission deadline 31 May 2026 | 2 articles | Viewed by 3279 | Submission Open

Keywords: applied chemistry; new molecules/materials; analytical methods and techniques; electrochemistry and catalysis; new materials and medicines

(This special issue belongs to the Section Applied Chemistry)

Bioactive Compounds for Brain Ischemia and Neurodegenerative Disease—3rd Edition

edited by

Ramunė Morkūnienė

and

Dalia M. Kopustinskiene

submission deadline 31 May 2026 | 3 articles | Viewed by 3251 | Submission Open

Keywords: brain; neuroprotection; neurodegenerative diseases; ischemia; mitochondria; oxidative stress; inflammation; bioactive compounds

(This special issue belongs to the Section Medicinal Chemistry)

Opportunities and Challenges in Protein Crystallography

edited by

Rocco Caliandro

submission deadline 31 May 2026 | 1 articles | Viewed by 2727 | Submission Open

Keywords: protein crystals; X-ray diffraction; cryo-EM; small-angle X-ray scattering; phasing methods; structural analysis

(This special issue belongs to the Section Chemical Biology)

Nanotechnology Landscape in Modern Medicine

edited by

Gianina Dodi

submission deadline 31 May 2026 | 1 articles | Viewed by 2715 | Submission Open

Keywords: nanotechnology; nanomedicine; healthcare; nanomaterials and nanostructures; nanoparticles; drug delivery systems; regenerative medicine; biosensing and monitoring; imaging and dignosis

(This special issue belongs to the Section Materials Chemistry)

Challenges and Future Directions in Toxic Activity and Antimicrobial Application of Plant and Food Extracts

edited by

Felipe Ascencio

and

Norma Hernández-Saavedra

submission deadline 31 May 2026 | 2 articles | Viewed by 2690 | Submission Open

Keywords: effectiveness: evaluate the efficacy of extracts under various conditions and against different pathogens; toxicity: investigate potential adverse effects of extracts on humans and animals; biodiversity: explore the diversity of plant species to discover new antimicrobial properties; sustainability: develop extraction and production methods that are environmentally friendly and sustainable; innovation: apply modern technologies; such as biotechnology; to improve the efficacy of extracts

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

Nutritional and Bioactive Components of Edible Parts of Medicinal Plants

edited by

Monika Kosmala

Elżbieta Karlińska

and Joanna Milala

submission deadline 31 May 2026 | 4 articles | Viewed by 2681 | Submission Open

Keywords: herbs; dietary fiber; polyphenols; ellagitannins; antioxidants; minerals; gastrointestinal track

(This special issue belongs to the Section Food Chemistry)

Food Bioactive Compounds: Chemical Challenges and Opportunities, 2nd Edition

edited by

Diana Obistioiu

and

Iuliana Popescu

submission deadline 31 May 2026 | 4 articles | Viewed by 2427 | Submission Open

Keywords: bioactive compounds; non-conventional extraction techniques; modern analytical methods; authenticity; molecular mechanism; functional properties; antimicrobial; antitumoral; anti-inflammatory; and antioxidant properties

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

Advances in Anticancer Activity of Natural Products and Related Compounds

edited by

Alexandra Mioc

submission deadline 31 May 2026 | 2 articles | Viewed by 2260 | Submission Open

Keywords: natural compounds; anticancer activity; bioactive compounds; cancer therapeutics; drug resistance; synergistic effect

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

Bioactive Compounds Encapsulation System: Design and Applications

edited by

Yong-Jiang Xu

and

Gangcheng Wu

submission deadline 31 May 2026 | 1 articles | Viewed by 1862 | Submission Open

Keywords: bioactive compounds; encapsulation; nanocarriers; bioavailability; targeted delivery; drug delivery; functional foods

(This special issue belongs to the Section Food Chemistry)

Advances in Transition Metal Catalysis for Organic Synthesis

edited by

Haibo Ge

and

Chong Liu

submission deadline 31 May 2026 | 1 articles | Viewed by 1735 | Submission Open

Keywords: transition metal catalysis; organometallic chemistry; organic synthesis; alkene functionalization; C-H functionalization

(This special issue belongs to the Section Organometallic Chemistry)

Purposeful Assembly and Versatile Applications of Advanced Crystalline Frameworks

edited by

Liming Fan

submission deadline 31 May 2026 | 2 articles | Viewed by 1449 | Submission Open

Keywords: metal– organic frameworks; covalent organic frameworks; hydrogen-bonded organic frameworks; post-synthetic modification strategy; composite materials

(This special issue belongs to the Section Inorganic Chemistry)

Chemical Research on Photosensitive Materials, 2nd Edition

edited by Shengjie Wang

submission deadline 31 May 2026 | 1 articles | Viewed by 1044 | Submission Open

Keywords: photosensitive materials; photochromic materials; photoluminescence materials; photothermal materials; photovoltaic materials; photocatalysts

(This special issue belongs to the Section Materials Chemistry)

Treatment and Analysis of PFAS in Environmental Pollution

edited by

Shilai Hao

submission deadline 31 May 2026 | 1 articles | Viewed by 892 | Submission Open

Keywords: PFAS; total fluorine; treatment; environmental samples

(This special issue belongs to the Section Green Chemistry)

Advances in Biomaterials: Preparation, Properties and Applications in Biomedicine and Tissue Engineering

edited by

Lei Nie

and

Chao Wang

submission deadline 31 May 2026 | 1 articles | Viewed by 765 | Submission Open

Keywords: biomaterials; decellularized extracellular matrix; tissue engineering; biomedicine; dECM scaffold; bioink; hydrogels

(This special issue belongs to the Section Materials Chemistry)

Role of Computer Aided Drug Design in Drug Development, Second Edition

edited by

Murilo Lamim Bello

submission deadline 31 May 2026 | Viewed by 546 | Submission Open

Keywords: computer-aided drug design; molecular modeling and simulations; machine learning and artificial intelligence; drug synthesis pathway design; drug carriers design; drug crystal structures modeling

(This special issue belongs to the Section Medicinal Chemistry)

Corrosion Mechanisms and Protection Technologies of Metallic Materials Under Harsh Environments

edited by Baojun Dong,

Tianyi Zhang

, Dezhi Zeng and

Yuxin Zhang

submission deadline 31 May 2026 | 2 articles | Viewed by 446 | Submission Open

Keywords: metal coating; non-metal coating; coating design and preparation; coating performance evaluation; corrosion mechanism in harsh environments

(This special issue belongs to the Section Materials Chemistry)

New Advances in Radiopharmaceutical Sciences, 2nd Edition

edited by

Elisabeth Eppard

submission deadline 31 May 2026 | 1 articles | Viewed by 420 | Submission Open

Keywords: radiopharmacy/radiopharmaceuticals; radiochemistry; radionuclide therapy; theranostics; PET; SPECT; tadiolabeling techniques; radionuclide production; nuclear medicine

(This special issue belongs to the Section Medicinal Chemistry)

Heterocycles: Design, Synthesis and Biological Evaluation, 4th Edition

edited by

Edward Krzyżak

and

Piotr Świątek

submission deadline 31 May 2026 | 1 articles | Viewed by 402 | Submission Open

Keywords: heterocycles; organic synthesis; drug design; biological activity; medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Innovations in Heterocyclic Chemistry: Synthesis, Characterization and Bioactivity

edited by Fernanda da Costa Santos Boechat, Maria Cecília B. V. De Souza,

Marcela Cristina de Moraes

and

Pedro Netto Batalha

submission deadline 31 May 2026 | Viewed by 340 | Submission Open

Keywords: heterocycles; synthesis; bioactivity; medicinal chemistry; structure-activity relationship (SAR); green chemistry; biochromatography; sustainability

(This special issue belongs to the Section Medicinal Chemistry)

Advanced Approaches for Analysis of Food Contaminants and Residues

edited by

Emmanouil Tsochatzis

submission deadline 31 May 2026 | Viewed by 256 | Submission Open

Keywords: allergens in foods; antibiotics in food products; endocrine-disrupting substances; food additives; food contact materials; mycotoxins; pesticides; polyaromatic hydrocarbons (PAH); process-induced changes and oxidation products

(This special issue belongs to the Section Analytical Chemistry)

Lignin Valorization in Biorefineries

edited by Carlos Eduardo De Araújo Padilha, Everaldo Silvino Dos Santos and Domingos Fabiano de Santana Souza

submission deadline 31 May 2026 | Viewed by 256 | Submission Open

Keywords: pretreatment; bioactive compounds; antioxidant properties; kraft lignin; extraction; thermochemical processes

(This special issue belongs to the Section Green Chemistry)

Photo- and Electro-Chemical Synthesis and Their Combined Processes

edited by

Carlos A. Martínez-Huitle

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

Keywords: photoelectrochemical; electrochemical; synthesis; hydrogen; valuable compounds; energy production and conversion; CO2; fuels

(This special issue belongs to the Section Electrochemistry)

Advanced Materials for Efficient Sulfur Removal in Industrial and Environmental Applications

edited by

Adeniyi S. Ogunlaja

and Tendai O. Dembaremba

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

Keywords: industrial desulfurization; catalytic sulfur removal; nanostructured catalysts; hydrodesulfurization (HDS); environmental catalysis; SOx emission control; clean fuel production; process scalability

Displaying special issue 751-800 on page 16 of 23.

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