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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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Research Progress of New Antimicrobial Drugs—2nd Edition

edited by

Monika Wujec

Urszula Kosikowska

and

Sylwia Andrzejczuk

submission deadline 31 Oct 2026 | Viewed by 257 | Submission Open

Keywords: synthesis of new antimicrobials; bioactive compounds; antimicrobial derivatives; synthetic and natural compounds; pathogens and opportunistic microbes; prevention and treatment; antibiofilm; discovery of antimicrobials

(This special issue belongs to the Section Medicinal Chemistry)

Featured Reviews on Bioactive Flavour and Fragrance Compounds, 2nd Edition

edited by

Riccardo Petrelli

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

Keywords: essential oils; agriculture; food; formulations; crop protection; insecticides; extraction techniques; chemical characterization; biological activity

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

Trends in Biosensors for Biomedical Applications

edited by

Magdalena Stobiecka

and

Katarzyna Ratajczak

submission deadline 31 Oct 2026 | Viewed by 253 | Submission Open

Keywords: optical biosensors (SPR, SERS, fluorescence, colorimetric); electrochemical biosensors; nanogravimetric biosensors; immunosensors; DNA-based biosensors; aptamer-based biosensors; exosomal biomarkers; enzymatic-biosensors

(This special issue belongs to the Section Chemical Biology)

Natural Products in Biomedical Science: Innovations in Anti-Inflammatory and Antioxidant Therapy

edited by Susan L. Bonnet and Charlene Marais

submission deadline 31 Oct 2026 | Viewed by 247 | Submission Open

Keywords: natural products; medicinal plants; secondary metabolites; drug discovery; anti-inflammatory activity; antioxidant; chronic inflammation; synthesis of anti-inflammatory natural products

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

Natural Extracts: Impact on Metabolic Diseases

edited by

Rosa Martha Pérez-Gutiérrez

and

Alethia Muñiz-Ramirez

submission deadline 31 Oct 2026 | Viewed by 244 | Submission Open

Keywords: natural extracts; secondary metabolites; phytochemical characterization; structure–activity relationships; metabolomics; green synthesis; biopolymers; nanoformulations; drug delivery systems; metabolic diseases

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

Advanced Materials and Chemical Technologies for Solid Waste Resource Recycling

edited by Zehua Ji and Yang Chen

submission deadline 31 Oct 2026 | Viewed by 243 | Submission Open

Keywords: heavy metals; non-ferrous metals; adsorption; separation and purification; coagulation; spent catalyst; recovery; removal; advanced oxidation process; catalysis; battery materials; new energy materials

(This special issue belongs to the Section Green Chemistry)

Functional Materials and Chemical Technologies for Sustainable Water Treatment

edited by

Marija M. Vuksanović

and

Andrija Savić

submission deadline 31 Oct 2026 | Viewed by 241 | Submission Open

Keywords: water purification; separation processes; functional materials; environmental applications; adsorption; materials characterization; sustainable water treatment technologies

(This special issue belongs to the Section Green Chemistry)

Infrared Spectroscopy for Molecular Structure and Dynamics

edited by

Jianping Wang

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

Keywords: vibrational dynamics; ATR; surface-enhanced IR; 2D IR; SFG; time-resolved IR; molecular dynamics

(This special issue belongs to the Section Molecular Structure)

Review Papers on Molecular Dynamics Simulations

edited by Abdulkadir Koçak and

Ricardo L. Mancera

submission deadline 31 Oct 2026 | Viewed by 238 | 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)

Photoredox Catalysis for Sustainable Chemical Synthesis/Medicinal Chemistry, 2nd Edition

edited by

Steven Bloom

submission deadline 31 Oct 2026 | Viewed by 234 | Submission Open

Keywords: visible light; photoredox catalysis; radical; medicinal chemistry; single electron transfer

(This special issue belongs to the Section Organic Chemistry)

Molecular Editing Through Skeletal Transformations

edited by

Gianfranco Favi

submission deadline 31 Oct 2026 | Viewed by 229 | Submission Open

Keywords: skeletal editing; rearrangement; transmutation; ring expansion/contraction; atom swapping; atom deletion/insertion; unimolecular fragment coupling; peripheral editing

(This special issue belongs to the Section Organic Chemistry)

Biodegradable Polymers in Asia

edited by

Jinlin He

submission deadline 31 Oct 2026 | Viewed by 227 | Submission Open

Keywords: biodegradable polymers; performance optimization; applications

(This special issue belongs to the Section Macromolecular Chemistry)

Advancement of AI in Natural Product Chemistry

edited by

Mustafa Sevindik

and

Njogu M. Kimani

submission deadline 31 Oct 2026 | Viewed by 223 | Submission Open

Keywords: AI; natural products; machine learning; spectral analysis; data-driven models; quality assurance; LLM agents

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

Supramolecular Peptide Materials for Biomedical Applications

edited by

Anna Mitraki

and

Dhwanit R. Dave

submission deadline 31 Oct 2026 | Viewed by 222 | Submission Open

Keywords: supramolecular peptides; peptide self-assembly; peptide-based biomaterials; biomedical applications; drug delivery; tissue engineering

(This special issue belongs to the Section Macromolecular Chemistry)

Understanding the Structure and Properties of Adaptable Solvents via Computational Methods and Their Application

edited by Richard P. Matthews

submission deadline 31 Oct 2026 | Viewed by 222 | Submission Open

Keywords: solvent design; ionic liquids; deep eutectic solvents; density functional theory (DFT); non-covalent interactions; structure–property relationships

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

Organocatalytic Transformations: Scope, Mechanisms, and Applications

edited by

Jose Oscar C. Jiménez-Halla

and

Tushar Janardan Pawar

submission deadline 31 Oct 2026 | Viewed by 221 | Submission Open

Keywords: asymmetric catalysis; enantioselective synthesis; organocatalytic mechanisms; metal-free transformations; sustainable chemistry; computational chemistry; peptide synthesis; C–H functionalization; small molecule activation

(This special issue belongs to the Section Organic Chemistry)

Green Analytical Methods for Halogen Determination

edited by

Paola A. Mello

and Marcia Foster Mesko

submission deadline 31 Oct 2026 | Viewed by 219 | Submission Open

Keywords: halogens; fluorine; chlorine; bromine; iodine; sample preparation; atomic spectrometry; mass spectrometry; sample preparation; combustion; extraction; ion chromatography; green analytical chemistry; white analytical chemistry

(This special issue belongs to the Section Analytical 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 218 | Submission Open

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

(This special issue belongs to the Section Nanochemistry)

Next-Generation Photochromic and Photofunctional Materials

edited by Junbiao Wu

submission deadline 31 Oct 2026 | Viewed by 210 | Submission Open

Keywords: photochromism; photofunctional materials; light-induced electron and ion transfer; proton-coupled; photoresponses; excited-state processes; solid-state photochemistry; inorganic–organic hybrid materials; metal–organic frameworks (MOFs); hydrogen-bonded organic frameworks (HOFs); zeolites and porous materials; low-dimensional and nanostructured materials; photonic and plasmonic materials; optical memory and data storage; radiation and UV dosimetry; photothermal conversion; luminescence modulation; smart sensing

(This special issue belongs to the Section Materials Chemistry)

Advanced Flexible Sensing Materials: Design, Mechanisms, and Applications

edited by Tianxue Zhu and Lifang Liu

submission deadline 31 Oct 2026 | Viewed by 205 | Submission Open

Keywords: flexible sensing materials; polymer- and hydrogel-based sensing materials; nanocomposites for flexible sensors; stretchable and self-healing materials; scalable fabrication of flexible sensing materials; wearable and implantable devices; durability and environmental stability of sensing materials

(This special issue belongs to the Section Materials Chemistry)

Recent Progress of AI-Based Electrochemical Biosensors

edited by Zihni Onur Uygun and Ferhan Sağın

submission deadline 31 Oct 2026 | Viewed by 204 | Submission Open

Keywords: biosensors; artificial intelligence in biosensing; smart point-of-care diagnostics; intelligent signal processing; environmental monitoring

(This special issue belongs to the Section Electrochemistry)

Proteomics in Autoimmune Disorders: From Immune Dysregulation to Therapeutic Targets

edited by Layla Kamareddine,

Shona Pedersen

and

Gulsen Guliz Anlar

submission deadline 31 Oct 2026 | Viewed by 198 | Submission Open

Keywords: proteomics; autoimmune disorders; biomarkers; mass spectrometry; immune profiling; translational research; molecular mechanisms; precision medicine

(This special issue belongs to the Section Chemical Biology)

The Applications of Lignin-Based Functional Materials

edited by Marta Goliszek-Chabros

submission deadline 31 Oct 2026 | Viewed by 197 | Submission Open

Keywords: lignin; modification; fractionation; polymer; green chemistry; sustainability

(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 195 | 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)

Rational Design and Optimization of Catalysts for Biomass Valorization

edited by Muhammad Saeed Akhtar and

Eun Duck Park

submission deadline 31 Oct 2026 | Viewed by 194 | Submission Open

Keywords: biomass valorization; catalytic biomass conversion; catalyst design; green chemistry; renewable resources; electrocatalysis; photocatalysis; reaction mechanisms

(This special issue belongs to the Section Green Chemistry)

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

edited by Dilek Battal

submission deadline 31 Oct 2026 | Viewed by 193 | 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)

Energy Materials: Preparation and Application in Electrochemical Energy Storage

edited by Lina Chen

submission deadline 31 Oct 2026 | Viewed by 193 | Submission Open

Keywords: battery; energy materials; energy conversion; electrochemical energy storage; material preparation; renewable energy; novel electrode materials; sustainable materials

(This special issue belongs to the Section Applied Chemistry)

Cannabinoids in Drug Discovery

edited by

Lakshmi Kotra

submission deadline 31 Oct 2026 | Viewed by 190 | Submission Open

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

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

Electrochemical Sensors Modified with Nanomaterials

edited by

Giovanni Neri

and

Simona Crispi

submission deadline 31 Oct 2026 | Viewed by 189 | 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)

Photosensitizers and Photodynamic Therapy

edited by

Vanya Mantareva

submission deadline 31 Oct 2026 | Viewed by 188 | Submission Open

Keywords: photosensitizers; porphyrinoids; natural photosensitive compounds; photophysics and photochemistry; singlet oxygen; photodynamic therapy

(This special issue belongs to the Section Photochemistry)

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

edited by Horacio R. Corti

submission deadline 31 Oct 2026 | Viewed by 188 | Submission Open

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

(This special issue belongs to the Section Physical Chemistry)

Next-Generation Biocatalysis in Organic Synthesis: Cascades and Hybrid Catalysis for High-Value Molecules

edited by Rodrigo Octávio Mendonça Alves de Souza

submission deadline 31 Oct 2026 | Viewed by 187 | Submission Open

Keywords: biocatalysis; chemoenzymatic synthesis; enzyme cascades; multi-enzymatic cascades; one-pot synthesis; chemoenzymatic cascades; photobiocatalysis; electrobiocatalysis; cofactor regeneration

(This special issue belongs to the Section Organic Chemistry)

Chemical Approaches for Nanoplastic Removal: Mechanisms, Materials and Technologies

edited by Maocai Shen and

Wenjun Wang

submission deadline 31 Oct 2026 | Viewed by 186 | Submission Open

Keywords: nanoplastics; chemical methods; photocatalysis adsorption; nanoenzyme catalysis; magnetic separation; enzymatic depolymerization; fenton-like technology

(This special issue belongs to the Section Green 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 186 | 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 183 | Submission Open

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

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

Functional Coatings and Membranes: Design, Properties and Applications

edited by

Guiyong Xiao

submission deadline 31 Oct 2026 | Viewed by 183 | Submission Open

Keywords: surface modification; micro/nano structure; coating; membranes; functional design

(This special issue belongs to the Section Materials Chemistry)

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

edited by Zehra Güler

submission deadline 31 Oct 2026 | Viewed by 182 | 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)

Modern Chemical Bond Theory: Methodological Advances and Computational Implementation

edited by

Marco Antonio Chaer Nascimento

and Thiago Messias Cardozo

submission deadline 31 Oct 2026 | Viewed by 179 | Submission Open

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

(This special issue belongs to the Section Physical Chemistry)

Research on Photocatalytic Materials and Mechanisms

edited by

Yanrong Zhang

submission deadline 31 Oct 2026 | Viewed by 179 | Submission Open

Keywords: photocatalysis; semiconductor photocatalysts; heterojunctions; CO2 photoreduction; water splitting; photocatalytic synthesis; environmental remediation; charge carrier dynamics; DFT calculations; visible-light photocatalysis; reaction mechanisms

(This special issue belongs to the Section Photochemistry)

Design, Synthesis and Biological Evaluation of Dual-Target Inhibitors

edited by

Vera L. M. Silva

submission deadline 31 Oct 2026 | Viewed by 177 | 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)

Functional Nanozymes: Design, Catalytic Mechanisms, and Bioanalytical Applications

edited by

Boggavarapu Kiran

and

Janak Paudyal

submission deadline 31 Oct 2026 | Viewed by 176 | Submission Open

Keywords: nanozymes; catalytic mechanisms; biosensing; biomedical diagnostics; bioimaging; biomarker detection; nanomaterials; hybrid nanozymes; point-of-care diagnostics

(This special issue belongs to the Section Nanochemistry)

Design, Synthesis and Evaluation of Antimicrobial Agents for Emerging Pathogens

edited by

Dustin Duncan

submission deadline 31 Oct 2026 | Viewed by 173 | 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)

Tailoring Carbon-Based Materials from Lignocellulosic Waste: Synthesis, Characterization, and High-End Applications

edited by

Grace F. Ghesti

submission deadline 31 Oct 2026 | Viewed by 168 | Submission Open

Keywords: waste to energy; waste to biomaterials; circular economy; biorefinery

(This special issue belongs to the Section Materials Chemistry)

Functional Hydrogels: Design, Synthesis, and Applications

edited by

Ying Pei

submission deadline 31 Oct 2026 | Viewed by 165 | 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)

Synthesis of Functional (Nano)Material and Applications in Catalysis & Energy Storage

edited by Yongxiao Tuo and Jun Zhang

submission deadline 31 Oct 2026 | Viewed by 159 | Submission Open

Keywords: functional nanomaterials; heterogeneous catalysis; electrochemical energy storage; sustainable synthesis; advanced composites

(This special issue belongs to the Section Materials Chemistry)

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

edited by

Stefano Fornasaro

submission deadline 31 Oct 2026 | Viewed by 156 | 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)

Multiscale Computational Studies on Amphiphilic Systems

edited by

Heng Zhang

and Shiling Yuan

submission deadline 31 Oct 2026 | Viewed by 155 | Submission Open

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

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

Biosynthesis, Metabolism, and Biological Activities of Secondary Metabolites

edited by Changhao Zhang

submission deadline 31 Oct 2026 | Viewed by 136 | Submission Open

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

(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 135 | Submission Open

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

(This special issue belongs to the Section Materials Chemistry)

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

edited by

Harun Gül

and

Mehmet Uysal

submission deadline 31 Oct 2026 | Viewed by 104 | 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)

Displaying special issue 551-600 on page 12 of 28.

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