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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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Emerging Analytical Chemistry Techniques in Toxicology: Detection, Characterization, and Risk Assessment

edited by Dilek Battal

submission deadline 31 Oct 2026 | Viewed by 89 | Submission Open

Keywords: analytical toxicology; advanced analytical techniques; mass spectrometry (MS); chromatographic methods; biomarker detection; toxicant identification; environmental and biological monitoring; trace-level analysis; exposure assessment; risk assessment; metabolomics in toxicology; forensic toxicology

(This special issue belongs to the Section Analytical Chemistry)

Recent Advances in Water-in-Salt (WiS) Electrolytes: Properties and Applications

edited by Horacio R. Corti

submission deadline 31 Oct 2026 | Viewed by 86 | Submission Open

Keywords: water-in-Salt; electrolytes; lithium; batteries; supercapacitors; nanostructure

(This special issue belongs to the Section Physical Chemistry)

Volatile Compounds: Analysis and Contribution to Food Flavor/Off-Flavor

edited by Zehra Güler

submission deadline 31 Oct 2026 | Viewed by 84 | Submission Open

Keywords: volatile compound determination; food flavor and off-flavor; food processing; gas chromatography-mass spectrometry; solid-phase microextraction; food authentication; sensory quality

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

Cannabinoids in Drug Discovery

edited by

Lakshmi Kotra

submission deadline 31 Oct 2026 | Viewed by 84 | Submission Open

Keywords: cannabinoids; cannabinoid receptors; endocannabinoid system; chemical modifications

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

Micro- and Nanoplastics: Fundamental Research, Environmental and Health Risks, and Mitigation Strategies

edited by

Tomasz Pańczyk

and

Marcin Cichy

submission deadline 31 Oct 2026 | Viewed by 83 | Submission Open

Keywords: microplastics; nanoplastics; water purification; adsorption; molecular dynamics; computational methods; density functional theory; chemical methods; photodegradation; membrane filtration; biodegradation; environmental remediation

(This special issue belongs to the Section Green Chemistry)

Solid Sampling and Analysis

edited by

Irina B. Karadjova

submission deadline 31 Oct 2026 | Viewed by 81 | Submission Open

Keywords: solid sampling; arc and spark optical emission spectrometry; glow discharge techniques coupled with optical emission spectrometry; mass spectrometry; X-ray fluorescence spectrometry

(This special issue belongs to the Section Analytical Chemistry)

Review Papers on Molecular Dynamics Simulations

edited by Abdulkadir Koçak and

Ricardo L. Mancera

submission deadline 31 Oct 2026 | Viewed by 77 | Submission Open

Keywords: molecular dynamics simulations; free energy calculations; machine learning; neural network potentials; binding free energy; solvation free energy; non-covalent interactions; enhanced sampling

(This special issue belongs to the Section Physical Chemistry)

Next-Generation Antibacterial Nanoparticles: Green Synthesis, Functional Design and Microbial Control

edited by

Paulina Laura Páez

and

Silvana Alborés

submission deadline 31 Oct 2026 | Viewed by 76 | Submission Open

Keywords: biogenic nanoparticles; antimicrobial resistance; nanomaterials; antibiofilm; nano– bio interactions; microbial nanotechnology; nanobiotechnology

(This special issue belongs to the Section Nanochemistry)

Advances in SERS and Vibrational Spectroscopy: Chemometric Approaches for Bioanalytical and Environmental Applications

edited by

Stefano Fornasaro

submission deadline 31 Oct 2026 | Viewed by 75 | Submission Open

Keywords: surface-enhanced Raman scattering (SERS); vibrational spectroscopy; chemometrics; machine learning; bioanalytical applications; environmental analysis; biomolecule and biofluid detection; pathogen identification; pollutant and pesticide monitoring; spectral data analysis

(This special issue belongs to the Section Analytical Chemistry)

Synthesis of Biologically Active Steroids

edited by

Vladimir N. Zhabinskii

submission deadline 31 Oct 2026 | Viewed by 74 | Submission Open

Keywords: synthesis; mechanisms; steroids; chemical structure; activity; cytotoxicity

(This special issue belongs to the Section Medicinal Chemistry)

Forensic Chemical Analysis

edited by Štěpán Urban and

Veronika Škeříková

submission deadline 31 Oct 2026 | Viewed by 74 | Submission Open

Keywords: forensic chemical analysis; crime scene traces; analytical techniques; gas chromatography; liquid chromatography; spectroscopy; mass spectrometry; elemental analysis; toxic substances; gunshot residue; explosives; arson accelerants

(This special issue belongs to the Section Analytical Chemistry)

Regulatory Mechanisms and Applications of Dietary Functional Components in Metabolic Health

edited by

Chunxiu Lin

and

Liqing Zhao

submission deadline 31 Oct 2026 | Viewed by 73 | Submission Open

Keywords: dietary functional components; bioactive compounds; metabolic health; molecular mechanisms; gut microbiota; oxidative stress and inflammation; obesity and type 2 diabetes; lipid and glucose metabolism; functional foods; bioavailability

(This special issue belongs to the Section Food Chemistry)

Computational Design of Photocatalysts and Electrocatalysts

edited by Büşra Dereli

submission deadline 31 Oct 2026 | Viewed by 71 | Submission Open

Keywords: density functional theory (DFT); photocatalysis; electrocatalysis; reaction mechanisms; catalyst design

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

Design, Synthesis and Evaluation of Antimicrobial Agents for Emerging Pathogens

edited by

Dustin Duncan

submission deadline 31 Oct 2026 | Viewed by 63 | Submission Open

Keywords: bacteria; chemical biology; drug discovery; emerging pathogens; fungi; mechanism of interest; natural products; protists; synthesis; viruses

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Chemical and Biochemical Technologies for Water and Wastewater Treatment

edited by

Athanasia Tekerlekopoulou

Dimitris V. Vayenas

and

Christina Vasiliki Lazaratou

submission deadline 31 Oct 2026 | Viewed by 56 | Submission Open

Keywords: water; wastewater; treatment; contaminant; pollutant; removal pharmaceutical; personal care product; microplastic; advanced oxidation processes; AOPs; aerobic; anaerobic; electrochemical; physicochemical; membrane

(This special issue belongs to the Section Green Chemistry)

Advanced Biopolymer-Based Nanocomposites: From Sustainable Design to Environmental and Biomedical Applications

edited by Şükrü Gökhan Elçi and

Aylin Altınışık Tağaç

submission deadline 31 Oct 2026 | Viewed by 54 | Submission Open

Keywords: biopolymer nanocomposites; natural fiber composites; chitosan-based materials; cellulose nanostructures; surface functionalization; adsorption; environmental remediation; green synthesis; hybrid nanocomposites; sustainable materials

(This special issue belongs to the Section Nanochemistry)

Functional Hydrogels: Design, Synthesis, and Applications

edited by

Ying Pei

submission deadline 31 Oct 2026 | Viewed by 53 | Submission Open

Keywords: functional hydrogels; drug delivery; stimuli-responsive; structure– property; conductive; self-healing; nanocomposite; synthesis; design; tissue engineering

(This special issue belongs to the Section Materials Chemistry)

Design, Synthesis and Biological Evaluation of Dual-Target Inhibitors

edited by

Vera L. M. Silva

submission deadline 31 Oct 2026 | Viewed by 48 | Submission Open

Keywords: dual-target inhibitors; medicinal chemistry; rational drug design; chemical synthesis; computational drug discovery; molecular docking; pharmacokinetics; drug resistance; biological evaluation; targeted therapy

(This special issue belongs to the Section Medicinal Chemistry)

Multiscale Computational Studies on Amphiphilic Systems

edited by

Heng Zhang

and Shiling Yuan

submission deadline 31 Oct 2026 | Viewed by 45 | Submission Open

Keywords: multiscale simulation; molecular dynamics; quantum mechanics; amphiphilic; colloids; interfaces

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

Bioactive Compounds: Applications and Benefits for Human Health, 2nd Edition

edited by Sara Baldelli,

Gilda Aiello

and

Serena Castelli

submission deadline 31 Oct 2026 | Viewed by 44 | Submission Open

Keywords: bioactive compounds; polyphenols; terpenoids; alkaloids; glucosinolates; antioxidant; anti-inflammatory; cardiovascular diseases; bacterial and viral infections; microbiota; neurodegenerative diseases; cancer; sarcopenia; identification; purification; extraction

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

Natural Bioactive Molecules: Discovery, Mechanisms and Applications in Health and Agriculture

edited by

Antonella Locascio

and Sergio Chevilly Tena

submission deadline 31 Oct 2026 | Viewed by 36 | Submission Open

Keywords: bioactive molecules; natural products; oxidative stress and cellular signaling

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

Recent Advances in MOFs: Synthesis, Characterization, and Applications

edited by Jiangtao Jia

submission deadline 31 Oct 2026 | Viewed by 35 | Submission Open

Keywords: metal– organic frameworks; controllable synthesis; advanced characterization; structure-property relationship; functional applications

(This special issue belongs to the Section Materials Chemistry)

Electrochemical Sensors Modified with Nanomaterials

edited by

Giovanni Neri

and

Simona Crispi

submission deadline 31 Oct 2026 | Viewed by 31 | Submission Open

Keywords: electrochemical sensors; nanomaterials; nanostructured electrodes; carbon-based nanomaterials (graphene; CNTs; CDs); metal and metal oxide nanoparticles; quantum dots; sensor functionalization; biosensing applications; environmental monitoring; advanced analytical technologies

(This special issue belongs to the Section Electrochemistry)

Modern Chemical Bond Theory: Methodological Advances and Computational Implementation

edited by

Marco Antônio Chaer Nascimento

and Thiago Messias Cardozo

submission deadline 31 Oct 2026 | Viewed by 13 | Submission Open

Keywords: chemical bond; valence bond; weak bonding; interference analysis; NBO; EDA; AIM

(This special issue belongs to the Section Physical Chemistry)

Current Trends in Plant Phytochemicals: Analysis and Biological Activities

edited by

Nesibe Ebru Kafkas

and

Karla Ramirez-Estrada

submission deadline 31 Oct 2026 | Viewed by 8 | Submission Open

Keywords: phytochemicals; secondary metabolites; analytical techniques; plant metabolomics; nutraceuticals; bioactive compounds; medicinal plants; fruits; vegetables; field crops; ornamentals

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

Biosynthesis, Metabolism, and Biological Activities of Secondary Metabolites

edited by Changhao Zhang

submission deadline 31 Oct 2026 | Viewed by 4 | Submission Open

Keywords: secondary metabolites; biosynthesis; metabolic regulation; bioactivity; molecular mechanism; chemical characterization

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

Functional Metal-Based Composite Coatings and Films: Synthesis and Applications

edited by

Harun Gül

and

Mehmet Uysal

submission deadline 31 Oct 2026 | Submission Open

Keywords: functional materials; corrosion and wear resistance; multi-alloy coatings; electroless coating; vapor deposition (PVD/CVD); nanocomposite materials; electrodeposition

(This special issue belongs to the Section Materials Chemistry)

Chemobrain and Polyphenols: Mechanisms and Therapeutic Perspectives

edited by

Manuela Leri

and

Monica Bucciantini

submission deadline 1 Nov 2026 | Viewed by 68 | Submission Open

Keywords: oxidative stress; neuroinflammation; mitochondrial dysfunction; phenolic compounds; flavonoids; lignans; phytoestrogens; structure– activity relationships (SAR)

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Marine-Derived Nanomaterials for Cancer Therapy

edited by

Susana C. M. Fernandes

and

Seyed Hesamoddin Bidooki

submission deadline 1 Nov 2026 | Viewed by 12 | Submission Open

Keywords: marine-derived nanomaterials; nanomedicine; cancer nanotherapeutics; targeted cancer therapy; marine natural products; theranostic nanoplatforms; anticancer drug delivery systems; tumor microenvironment targeting; nanotoxicology

(This special issue belongs to the Section Nanochemistry)

Plant-Based Green Synthesis of Nanoparticles and Their Bioactivity Study

edited by

Yougasphree Naidoo

and

Clarissa Naidoo

submission deadline 6 Nov 2026 | Viewed by 190 | Submission Open

Keywords: green nanotechnology; plant-mediated nanoparticle synthesis; medicinal plants; phytochemicals; nanoparticle characterization; metabolomics; structure– activity relationships; bioactivity-driven nanomaterials; antimicrobial and antiviral nanoparticles; dermo-cosmetic and biomedical applications

(This special issue belongs to the Section Green Chemistry)

Chemical Composition and Bioactivities of Essential Oils, 3rd Edition

edited by

Manuela Labbozzetta

submission deadline 10 Nov 2026 | 7 articles | Viewed by 12867 | Submission Open

Keywords: bioactive natural compounds; essential oils; chemical characterization; the essential oil mechanism of action; biological activities in vitro and in vivo; antitumor; antimicrobials; antioxidant; EO delivery strategies

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

Exploring the Antioxidant Activity of Natural Extracts: New Findings and Potential Food- and Non-Food-Related Applications

edited by

Victoria V. Volkis

submission deadline 15 Nov 2026 | 4 articles | Viewed by 5637 | Submission Open

Keywords: natural antioxidants; superfruits; specialty crops; polyphenols; flavonoids; tannins; anthocyanins; carotenoids; vitamins; phytochemistry; extraction techniques; processing; functional food; sustainable technology; technical applications; antifouling; obesity; inflammation; diabetes; cosmetics; pharmaceuticals; environmental protection; material science; radical scavenging; nutraceuticals

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

Trends of Drug Synthesis in Medicinal Chemistry

edited by

Cheng-Hua Jin

submission deadline 15 Nov 2026 | 3 articles | Viewed by 3282 | Submission Open

Keywords: drug synthesis; anticancer agents; antimicrobial resistance; green chemistry; AI-driven design; targeted delivery systems; continuous-flow technology; structure– activity optimization; multidisciplinary collaboration

(This special issue belongs to the Section Medicinal Chemistry)

Innovations and Breakthroughs in Bifunctional Molecules

edited by

Xiaoli Xu

submission deadline 15 Nov 2026 | 1 articles | Viewed by 2150 | Submission Open

Keywords: bifunctional molecules; PROTAC; molecular glues; LYTAC; AUTAC; RIBOTAC

(This special issue belongs to the Section Medicinal Chemistry)

Metal Complexes and Their Medicinal Applications

edited by

Hanna Lewandowska

submission deadline 15 Nov 2026 | 2 articles | Viewed by 1834 | Submission Open

Keywords: metal complexes; medicinal chemistry; anticancer agents; antimicrobial activity; diagnostic imaging; therapeutic design; coordination chemistry; supplements; clinical dietetics

(This special issue belongs to the Section Medicinal Chemistry)

Advances in Antibacterial and Antifungal Peptide-Based Agents

edited by

Ewa Ciszkowicz

and

Aleksandra Bocian

submission deadline 15 Nov 2026 | Viewed by 267 | Submission Open

Keywords: antimicrobial compounds; antifungal compounds; natural products; synthetic compounds; novel antibiotics; antifungal and antimicrobial drugs; antimicrobial peptides (AMPs)

(This special issue belongs to the Section Medicinal Chemistry)

Future Edible Oils: Green Extraction, Analytical Techniques and Food Industry Applications

edited by

Ying Li

and Anne Sylvie Fabiano-Tixier

submission deadline 15 Nov 2026 | Viewed by 219 | Submission Open

Keywords: edible oils; green extraction; sustainable processing; analytical techniques; functional lipids; circular bioeconomy

(This special issue belongs to the Section Green Chemistry)

Synthesis, Reaction Mechanism and Application of Photocatalysts

edited by

Víctor Hugo Castrejón-Sánchez

submission deadline 15 Nov 2026 | Viewed by 181 | Submission Open

Keywords: photocatalysis; material synthesis; reaction mechanism; pollutant degradation; solar fuels; heterostructures; renewable energy; sustainable catalysis; semiconductors; water purification

(This special issue belongs to the Section Photochemistry)

Role of Natural Products in Inflammation, 2nd Edition

edited by

Katarína Bauerová

submission deadline 15 Nov 2026 | Viewed by 162 | Submission Open

Keywords: inflammation; natural compounds; terrestrial plants; marine plants; NF-kappaB; hemoxygenase and cyclooxygenase pathways

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

Multicomponent Reactions for the Synthesis of Bioactive Heterocyclic Hybrids

edited by

Carlos J. Cortes-García

and Luis Chacón

submission deadline 15 Nov 2026 | Viewed by 132 | Submission Open

Keywords: multicomponent reactions; one-pot reactions; molecular hybridization; bioactive heterocycles; drug discovery; medicinal chemistry

(This special issue belongs to the Section Organic Chemistry)

Active Food Packaging Materials: From Physical–Chemical Interactions to Preservation

edited by

Marcia Regina de Moura Aouada

and Ana María Chaux-Gutiérrez

submission deadline 15 Nov 2026 | Viewed by 93 | Submission Open

Keywords: bioactive compounds; shelf-life; essential oil; biopolymer; nanoemulsion; hydrogels; controlled release; antioxidant activity; antimicrobial activity; nanoparticles; nanocomposites

(This special issue belongs to the Section Materials Chemistry)

Medicinal Value of Natural Bioactive Compounds and Plant Extracts, 4th Edition

edited by

Magdalena Wojciak-Kosior

Marcin Feldo

and

Ireneusz Sowa

submission deadline 15 Nov 2026 | Viewed by 77 | Submission Open

Keywords: secondary plant metabolites; plant extracts; biological activity; polyphenols; alkaloids; cosmetology; ethnopharmacology; isolation and structure elucidation of plant metabolites

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

Chemistry of Nucleic Acids: From Structure to Biological Interactions, Second Edition

edited by

Claudia Riccardi

and Federica D'Aria

submission deadline 15 Nov 2026 | Viewed by 29 | Submission Open

Keywords: nucleic acid structures and functions; modified nucleic acids; nucleic acid-targeting ligands; physicochemical studies of nucleic acids; thermodynamics and kinetics of nucleic acid structures; structure– function relationship of nucleic acids; nucleic acid– protein interactions; aptamers

(This special issue belongs to the Section Chemical Biology)

Advanced Chemical Strategies for Sustainable Environmental Remediation and Resource Recovery

edited by Martín Muñoz-Morales

submission deadline 16 Nov 2026 | Viewed by 76 | Submission Open

Keywords: environmental remediation; biowaste valorization; catalysts; thermal treatments; sustainability; biorefinery; heavy metals

(This special issue belongs to the Section Green Chemistry)

Synthesis, Structural Analysis and Applications of N,O-Donor Ligands and Their Coordination Compounds and Polymers, 2nd Edition

edited by

Barbara Morzyk-Ociepa

submission deadline 16 Nov 2026 | Viewed by 35 | Submission Open

Keywords: N; O-donor ligands; coordination chemistry; structural chemistry; coordination polymers; DFT calculations

(This special issue belongs to the Section Applied Chemistry)

Advances in Alkyne Chemistry

edited by Ruimao Hua

submission deadline 25 Nov 2026 | 7 articles | Viewed by 35573 | Submission Open

Keywords: alkyne annulation; carbocycle synthesis; heterocycle synthesis; atom-economic reaction; synthesis methodology

(This special issue belongs to the Section Organic Chemistry)

30th Anniversary of Molecules—Recent Advances in Materials Chemistry

edited by

Giuseppe Cirillo

Dimitrios Gournis

and Mu-Ping Nieh

submission deadline 30 Nov 2026 | 12 articles | Viewed by 24707 | Submission Open

Keywords: materials chemistry; synthetic procedures; characterization procedures; nanomaterials and nanocomposites; biologically oriented materials and biomaterials; materials of natural origin; hybrid composites; mechanical properties; long-term durability

(This special issue belongs to the Section Materials Chemistry)

Heterophase Polymerization and Functional Polymer Microspheres/Microcapsules

edited by Chengyou Kan and Wei Deng

submission deadline 30 Nov 2026 | 6 articles | Viewed by 15916 | Submission Open

Keywords: emulsion polymerization; mini emulsion polymerization; dispersion polymerization; suspension polymerization; encapsulation; functionalization; polymer microspheres; microcapsules; characterization; morphology control; structure– property relationship; polymer nanocomposite; application

(This special issue belongs to the Section Materials Chemistry)

30th Anniversary of Molecules—Recent Advances in Computational and Theoretical Chemistry

edited by

Maxim L. Kuznetsov

submission deadline 30 Nov 2026 | 11 articles | Viewed by 14850 | Submission Open

Keywords: computational chemistry; quantum chemistry; density functional theory; molecular design; reaction mechanism; chemical bonding; non-covalent interactions; molecular docking

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

Current Emerging Trends of Extraction and Encapsulation in Food, 2nd Edition

edited by

Seyed Mohammad Taghi Gharibzahedi

submission deadline 30 Nov 2026 | 3 articles | Viewed by 2886 | Submission Open

Keywords: extraction; encapsulation; drying; emulsion; targeted delivery; stability; bioactive compounds; nonthermal technologies; bioavailability; functional foods

(This special issue belongs to the Section Food Chemistry)

Displaying special issue 1051-1100 on page 22 of 28.

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