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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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Advanced Fluorescent Probes and Chelators for Bioimaging and Transition Metal Sensing

edited by

Andrea Bencini

and

Matteo Savastano

submission deadline 30 Apr 2027 | Submission Open

Keywords: coordination chemistry; fluorescent probes; metal chelators; transition metal sensing; bioimaging; molecular sensing; metal complexes; chemical biology; supramolecular chemistry; photophysical properties

(This special issue belongs to the Section Inorganic Chemistry)

Peptide-Decorated Self-Assembled Nanoparticles for Cancer Theranostics: Advances in Biomedicine

edited by

Feng Jiang

and Feng Cao

submission deadline 30 Apr 2027 | Submission Open

Keywords: self-assembly; peptide nanoparticles; cancer therapy; theranostics; tumor targeting

(This special issue belongs to the Section Nanochemistry)

Natural Products as Multi-Target Agents in Chronic and Infectious Diseases

edited by

Rumyana Simeonova

and

Rositsa Mihaylova

submission deadline 30 Apr 2027 | Submission Open

Keywords: natural products; multitarget agents; phytochemicals; chronic diseases; infectious diseases; molecular mechanisms; drug discovery; systems pharmacology

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

Novel Drugs for Anticancer Therapy

edited by

Maciej Wnuk

submission deadline 10 May 2027 | Viewed by 253 | Submission Open

Keywords: anticancer activity; natural small molecules; anticancer drugs; synthetic analogues

(This special issue belongs to the Section Medicinal Chemistry)

Emerging Horizons of Hyperpolarization in Chemistry and Biomedicine

edited by

Roman Shchepin

submission deadline 30 May 2027 | 3 articles | Viewed by 4976 | Submission Open

Keywords: hyperpolarization; NMR; MRI; low cost; SABRE; PHIP; d-DNP; isotopic enrichment

Crystal and Molecular Structure: Theory and Application

edited by

Łukasz Szeleszczuk

submission deadline 31 May 2027 | 3 articles | Viewed by 4412 | Submission Open

Keywords: crystal structure; molecular structure; DFT; structural analysis; molecular modeling; calculations; physicochemical analysis; polymorphism

(This special issue belongs to the Section Applied Chemistry)

Catalysis in Organic Chemistry: A Themed Issue Dedicated to Professor Johannes G. de Vries

edited by Sergey Tin

submission deadline 31 May 2027 | 5 articles | Viewed by 3364 | Submission Open

Keywords: homogeneous catalysis; enantioselective catalysis; transformation of renewable resources; industrial catalysis

(This special issue belongs to the Section Organic Chemistry)

Recent Advances in Structural Characterization by Raman Spectroscopy

edited by

Ioana Stanculescu

and Jose M. Calderon Moreno

submission deadline 31 May 2027 | 2 articles | Viewed by 2690 | Submission Open

Keywords: Raman; pharmaceuticals; materials research; life sciences; molecular vibrations

(This special issue belongs to the Section Analytical Chemistry)

Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 3rd Edition

edited by

Irinel Adriana Badea

and

Rodica Olar

submission deadline 31 May 2027 | 1 articles | Viewed by 1345 | Submission Open

Keywords: phytochemicals; natural products; traditional medicine; liquid–liquid extraction; hydro distillation and steam distillation; solid-phase extraction; Soxhlet extraction; pressurized liquid extraction; supercritical fluid extraction; ultrasound-assisted extraction; microwave-assisted extraction; enzyme-assisted extraction; pulsed electric field extraction; HPLC; HPLC-MS; GC-MS; NMR; IR; in vitro assay; in vivo assay; antioxidant; anti-inflammatory; antimicrobial; antitumoral activity

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

Environmental Analysis of Organic Pollutants, 3rd Edition

edited by

Wenbin Liu

submission deadline 31 May 2027 | 1 articles | Viewed by 927 | Submission Open

Keywords: organic pollutants; persistent organic pollutants; emerging contaminants; new pollutants; air, water, soil and sediment; emission; environmental fate; transformation; target analysis and non-target analysis

(This special issue belongs to the Section Green Chemistry)

Recent Advances in Amino Acid-Based Ionic Liquids

edited by

Maya Guncheva

submission deadline 31 May 2027 | Viewed by 303 | Submission Open

Keywords: synthesis; physicochemical properties; theoretical studies; functional materials; drug formulation; (bio)separation; (bio)catalysis; toxicity

(This special issue belongs to the Section Molecular Liquids)

Production and Applications of Nature-Based Bioactive Compounds in Food, Cosmetic, Agricultural, and Pharmaceutical Sectors

edited by

Alessandra Morana

and

Giuseppe Squillaci

submission deadline 31 May 2027 | Viewed by 139 | Submission Open

Keywords: agro-waste valorization; anticancer activity; antimicrobial compounds; anti-inflammatory activity; antioxidants; bioactive compounds from microorganisms; circular economy; medicinal and aromatic plants; nature-based active ingredients; skin protection; pigments; biopolymers; lipids; carbohydrates; food; cosmetics; agriculture; pharmaceuticals

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

Bioactive Molecules for Cosmetics Discovery: From Natural Product to Advanced Nanotechnology

edited by M. P. Vinardell

submission deadline 31 May 2027 | Viewed by 93 | Submission Open

Keywords: bioactive natural products; nanotechnology in cosmetics; transdermal drug delivery systems; green extraction and synthesis; molecular mechanisms of action; liposomes and nanoemulsions; sustainable cosmetic development; functional characterization and safety

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

Inorganic Luminescence Materials and Their Applications

edited by

Luis Craco

, Eralci Moreira Therézio and Ariosvaldo Junior Sousa Silva

submission deadline 31 May 2027 | Viewed by 74 | Submission Open

Keywords: luminescent materials; photophysics; photoluminescence; rare-earth-doped materials; optical spectroscopy; semiconductor oxides; perovskites; functional materials; nanostructured materials; optical properties; LEDs; optical sensors; energy conversion; electronic structure; computational materials science

(This special issue belongs to the Section Materials Chemistry)

Metal Complexes: From Synthesis to Applications

edited by Beata Cristóvao and

Agata Bartyzel

submission deadline 31 May 2027 | Viewed by 72 | Submission Open

Keywords: metal complexes; structural characterization; catalysis; medicinal chemistry; functional materials; metal–organic frameworks (MOFs); coordination polymers; molecular magnetism; luminescence; sensors

(This special issue belongs to the Section Organometallic Chemistry)

Supercritical Fluids and Green Processing for Bioactive Compounds and Functional Materials

edited by Camila Guindani and Evertan A. Rebelatto

submission deadline 31 May 2027 | Viewed by 64 | Submission Open

Keywords: supercritical fluid extraction (SFE); bioactive compounds; functional materials; supercritical CO2; biomass valorization; phase equilibrium; encapsulation; biorefinery; natural products; green solvents

(This special issue belongs to the Section Green Chemistry)

Recent Development in Metal Coordination Compounds

edited by Mehmet Hakan Morcali

submission deadline 31 May 2027 | Viewed by 62 | Submission Open

Keywords: transition metals; coordination compounds; Schiff base; MOF

(This special issue belongs to the Section Inorganic Chemistry)

Recent Advances in Molecular Isomerization

edited by Sándor Góbi

submission deadline 31 May 2027 | Viewed by 49 | Submission Open

Keywords: matrix-isolation spectroscopy; cryogenics; photochemistry; conformational switching; conformational landscapes; quantum tunneling; reaction dynamics; molecular switches; conformational chemistry

(This special issue belongs to the Section Molecular Structure)

Natural Products in Animal Health and Disease Prevention

edited by

Antoni Szumny

and

Robert Kupczyński

submission deadline 31 May 2027 | Viewed by 45 | Submission Open

Keywords: natural products; animal health; disease prevention; essential oils; phytochemicals; gut microbiota; sustainable animal production

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

Low-Dimensional Semiconducting Materials for Advanced Gas Sensing

edited by

Huan Liu

submission deadline 31 May 2027 | Viewed by 41 | Submission Open

Keywords: low-dimensional material; semiconductors gas sensing; colloidal quantum dots; two-dimensional materials; electronic nose; intelligent olfaction

(This special issue belongs to the Section Materials Chemistry)

Plant Bioactives: Chemical Characterization, Mechanistic Insights, and Biomedical Translation

edited by

Adnan Amin

submission deadline 31 May 2027 | Viewed by 35 | Submission Open

Keywords: plant bioactives; metabolomics; molecular mechanisms; biological activities; biomedical applications

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

Advances in Natural Fibers: Modification, Properties and Applications

edited by Roland El Hage and

Rodolphe Sonnier

submission deadline 31 May 2027 | Viewed by 14 | Submission Open

Keywords: natural fibers; lignocellulosic biomass; animal fibers; fiber modification; surface functionalization; bio-based materials; polymer composites; sustainable materials; structure–property relationships; circular economy

(This special issue belongs to the Section Macromolecular Chemistry)

Chemical and Molecular Mechanisms of Skin Aging and Age-Related Diseases

edited by

Dong Wook Shin

submission deadline 31 May 2027 | Submission Open

Keywords: aging; chemical and molecular mechanisms; age-related diseases; immunosenescence; inflammaging; biomolecules

(This special issue belongs to the Section Chemical Biology)

Advancement in Phytochemistry and Pharmacology of Medicinal Plants

edited by

Marcelo José Dias

and Claúdia Quintino Da Rocha

submission deadline 30 Jun 2027 | 9 articles | Viewed by 8777 | Submission Open

Keywords: green chemistry and sustainable chemical processes; advanced thin layer chromatography; ethical application of artificial intelligence in natural products; natural product platforms; pharmaceutical biotechnology and chemical innovation; bioprospecting; phytomedicine; in vivo and in vitro ethnopharmacological studies; promising chemical–biological studies by research groups; phytomedicine and chemical standardization of herbal formulations

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

Synthesis of Anticancer Agents for Targeted Therapy

edited by

Malgorzata Jelen

submission deadline 30 Jun 2027 | 3 articles | Viewed by 5307 | Submission Open

Keywords: organic synthesis of anticancer compounds; targeted cancer therapy; medicinal chemistry; structure–activity relationship (SAR); molecular-targeted therapy; drug development; chemotherapeutic agents; cell signaling pathways; monoclonal antibody; cancer-altered pathway

(This special issue belongs to the Section Medicinal Chemistry)

Bioavailability of Bioactive Food Compounds

edited by

Sylwia Mildner-Szkudlarz

and

Maria Barbara Różańska

submission deadline 30 Jun 2027 | 2 articles | Viewed by 4204 | 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)

Nanomaterial-Based Biosensors: From Design to Analytical Applications

edited by Irene Ojeda and Diana Vilela-Garcia

submission deadline 30 Jun 2027 | 1 articles | Viewed by 821 | Submission Open

Keywords: nanomaterial-based biosensors; nanomaterials; electrochemical biosensors; nanocomposites; analytical chemistry; electrode modification; nanostructures; sensor interfaces; electroanalysis; biofunctionalization

(This special issue belongs to the Section Nanochemistry)

Small-Molecule Inhibitors as Anticancer Drugs

edited by

Magdalena Stobiecka

submission deadline 30 Jun 2027 | Viewed by 499 | Submission Open

Keywords: small-molecule apoptosis-protein-family inhibitors; small-molecule mitotic inhibitors; small-molecule kinase inhibitors; small-molecule receptor tyrosine kinase inhibitors; small-molecule non-receptor tyrosine kinase inhibitors; small-molecule serine/threonine kinase inhibitors; small-molecule epigenetic inhibitors; small-molecule proteasome inhibitors; small-molecule inhibitors for disrupting protein–protein interactions; small-molecule inhibitors aimed at exploiting tumor metabolic vulnerabilities

(This special issue belongs to the Section Medicinal Chemistry)

Current Topics and Applications of Chiral Auxiliaries

edited by Shawn Raynard Hitchcock

submission deadline 30 Jun 2027 | Viewed by 438 | Submission Open

Keywords: chiral auxiliary; asymmetric synthesis; diastereoselection; organic synthesis; stereochemistry; chiral control

(This special issue belongs to the Section Organic Chemistry)

Photocatalytic Nanocomposites: Design, Mechanisms and Applications

edited by Ramona-Crina Suciu

submission deadline 30 Jun 2027 | Viewed by 327 | Submission Open

Keywords: photocatalytic; nanocomposites; matrix; reinforcement; nanomaterials

(This special issue belongs to the Section Nanochemistry)

Magnetic Nanomaterials: Design, Properties and Potential Applications

edited by

Małgorzata Kąc

, Katarzyna Błoch and

Oleksandr Pastukh

submission deadline 30 Jun 2027 | Viewed by 285 | Submission Open

Keywords: magnetism, magnetic nanomaterials; nanoparticles, nanowires, nanotubes, nanoribbons, thin films, molecular magnets; design and synthesis of magnetic materials; characterization of magnetic materials; theoretical modeling and simulations of magnetic materials; applications of magnetic materials

(This special issue belongs to the Section Materials Chemistry)

Valorization Strategies for Plant-Based By-Products

edited by

Linards Klavins

and Beenish Saba

submission deadline 30 Jun 2027 | Viewed by 199 | Submission Open

Keywords: valorization; biorefinery; bioeconomy; sustainability; circularity; upcycling; bioconversion; biomass; extraction; fermentation; bioprocessing; residues

(This special issue belongs to the Section Green Chemistry)

Biomarker Discovery and Targeted Therapies in Disease

edited by Bo Guo

submission deadline 30 Jun 2027 | Viewed by 102 | Submission Open

Keywords: biomarker discovery; precision medicine; targeted therapy; artificial intelligence; multi-omics; proteomics; medical imaging; robot-assisted percutaneous biopsy; extracellular vesicles; translational medicine

(This special issue belongs to the Section Chemical Biology)

Food Bioactives with Antioxidant Properties in Complex Food Systems

edited by

Miguel Rebollo-Hernanz

and Assamae Chabni

submission deadline 30 Jun 2027 | Viewed by 89 | Submission Open

Keywords: food bioactives; antioxidant properties; complex food systems; food matrix; structure function; relationships; phenolic compounds; bioactive lipids; oxidative stability; bioaccessibility; green extraction

(This special issue belongs to the Section Food Chemistry)

Molecular Self-Assemblies for Biomedical Applications

edited by Mu-Ping Nieh

submission deadline 30 Jun 2027 | Viewed by 70 | Submission Open

Keywords: self-assembly; biomolecules; nanoscale characterization; amphiphilic molecules

(This special issue belongs to the Section Materials Chemistry)

Molecular Assembly and Crystal Structure

edited by

Ting Wang

and

Xin Huang

submission deadline 30 Jun 2027 | Viewed by 58 | Submission Open

Keywords: molecular assembly; crystal structure; molecular packing evolution; structure–property relationship; supramolecular self-assembly; crystallization mechanism; noncovalent interactions

(This special issue belongs to the Section Molecular Structure)

Structurally Diverse Triterpene Derivatives for Drug Discovery: Extraction, Synthesis, and Biological Evaluation

edited by

Ewa Bębenek

and

Elwira Chrobak

submission deadline 30 Jun 2027 | Viewed by 56 | Submission Open

Keywords: triterpenes; bioactive compounds; semi-synthesis; biological study; ADMET; structure–activity relationship; medicinal chemistry

(This special issue belongs to the Section Medicinal Chemistry)

Hydrogels: Molecular Design, Dynamic Networks and Emerging Applications

edited by

Lei Wang

and Hong Zhang

submission deadline 30 Jun 2027 | Viewed by 50 | Submission Open

Keywords: hydrogels; molecular design; dynamic networks; stimuli-responsive materials; tissue adhesion; drug delivery; food preservation; environmental applications

(This special issue belongs to the Section Materials Chemistry)

Predicting Optical and Electromagnetic Properties in Complex Molecular Systems

edited by

Francesco Ferdinando Summa

and

Alessandro Landi

submission deadline 30 Jun 2027 | Viewed by 39 | Submission Open

Keywords: optical properties; spectroscopy (NMR, CD, UV-Vis); induced current density; nonlinear optics; electronic structure methods; molecular modeling

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

Alkaloids: Chemistry and Biological Activity

edited by Changxing Qi

submission deadline 30 Jun 2027 | Viewed by 23 | Submission Open

Keywords: alkaloids; natural products; isolation and structure elucidation; biosynthesis; structural modification; pharmacological activity; structure–activity relationship

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

Pharmacological, Metabolic and Toxicological Profiling of Xenobiotics

edited by Yantong Sun and

Li Ren

submission deadline 1 Jul 2027 | Viewed by 64 | Submission Open

Keywords: xenobiotics; natural products; pharmacology; toxicity; metabolites; gut microbiota; pharmacokinetics

(This special issue belongs to the Section Medicinal Chemistry)

Molecular Approaches to Drug Design: From Target Identification to Delivery

edited by

Michio Kurosu

submission deadline 31 Jul 2027 | 2 articles | Viewed by 5035 | Submission Open

Keywords: drug design; target identification; drug delivery; protein-based therapeutics; targeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

ECSOC-30

edited by

Julio A. Seijas Vázquez

submission deadline 31 Jul 2027 | Viewed by 56 | Submission Open

Keywords: bioorganic chemistry; medicinal chemistry; natural products; organic synthesis; physical organic chemistry; supramolecular chemistry; polymer

(This special issue belongs to the Section Organic Chemistry)

Molecular and Supramolecular Thermodynamics

edited by

Vladislav Tomisic

Josip Pozar

and

Andrea Usenik

submission deadline 31 Jul 2027 | Viewed by 56 | Submission Open

Keywords: chemical thermodynamics; supramolecular chemistry; non-covalent interactions; host–guest chemistry; molecular recognition; self-assembly; biomolecular interactions; solution thermodynamics; calorimetry; computational thermodynamics

(This special issue belongs to the Section Physical Chemistry)

Advanced Nanomaterials for Clean Energy Utilization and Pollution Control

edited by Xianglin Zhu

submission deadline 31 Jul 2027 | Viewed by 46 | Submission Open

Keywords: photocatalysis; hydrogen energy; CO2 reduction; advanced oxidation processes; nanomaterials; environmental remediation; energy conversion

(This special issue belongs to the Section Materials Chemistry)

Low-Dimensional Materials for Energy Applications

edited by

Yongzheng Fang

submission deadline 31 Jul 2027 | Viewed by 38 | Submission Open

Keywords: electrochemical energy storage and conversion; batteries; supercapacitors; electrocatalysis; nanomaterials

(This special issue belongs to the Section Materials Chemistry)

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

edited by

and Fotouh Rashed

submission deadline 31 Aug 2027 | 1 articles | Viewed by 1368 | 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)

Advanced Materials for Carbon Dioxide Capture, Separation, Utilization and Storage

edited by

Reyna Ojeda-López

and

Enrique Vilarrasa García

submission deadline 31 Aug 2027 | Viewed by 51 | Submission Open

Keywords: carbon dioxide capture; carbon capture, utilization, and storage (CCUS); gas separation; adsorption; porous materials; carbon-based materials; catalysis; surface functionalization; membranes; direct air capture (DAC); carbon dioxide utilization; computational modeling; machine learning; sustainability

(This special issue belongs to the Section Materials Chemistry)

Advances in Nanoparticulate Drug Delivery Systems for Targeted Therapy

edited by

Marta Slavkova

and

Aleksandar Shkondrov

submission deadline 31 Dec 2027 | 1 articles | Viewed by 1957 | Submission Open

Keywords: nanocarriers; green synthesis; surface functionalization; stimulus-responsive systems; enhanced permeation and retention (EPR) effect; cell-membrane coating; ligand–receptor interactions; small-molecule ligands; biocompatibility; precision medicine

(This special issue belongs to the Section Nanochemistry)

Advances in Electrocatalysis and Photocatalysis for Energy and Environment

edited by Robson Rocha

submission deadline 31 Dec 2027 | Viewed by 38 | Submission Open

Keywords: electrochemical materials; photoredox reactions; photo-assisted processes; electrochemical processes; nanocomposites; semiconductors

(This special issue belongs to the Section Electrochemistry)

Displaying special issue 1301-1350 on page 27 of 28.

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