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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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Phytochemical Research: Composition, Structure, and Analytical Innovations

edited by

Gigliola Borgonovo

and

Francesca Annunziata

submission deadline 31 Mar 2027 | Viewed by 73 | Submission Open

Keywords: NMR spectroscopy; phytochemistry; plant natural products; structural elucidation; quantitative NMR (qNMR); bioactive compounds; plant metabolites

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

Biotechnology in Food Chemistry: Molecular Strategies and Synthetic Biology

edited by Qi Zhang and

Sha Li

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

Keywords: synthetic biology in food; molecular food science; precision fermentation; metabolic engineering; food enzyme engineering; functional biomacromolecules; targeted structure modification

(This special issue belongs to the Section Food Chemistry)

Biomass-Derived Carbon Materials: Adsorption, Catalysis and Environmental Remediation

edited by

Gabriela Carvalho Collazzo

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

Keywords: biomass-derived carbon materials; biochar; activated carbon; biomass conversion; environmental remediation; carbonaceous materials; water treatment; emerging contaminants; sustainable materials

(This special issue belongs to the Section Materials Chemistry)

Targeted Protein Degradation and Induced Proximity: Chemical Biology, Screening Strategies, and Therapeutic Translation

edited by

Xufen Yu

and

Chengliang Zhu

submission deadline 31 Mar 2027 | Viewed by 50 | Submission Open

Keywords: targeted protein degradation; induced proximity; PROTAC; molecular glue degrader; E3 ligase; chemical biology; medicinal chemistry; phenotypic screening; high-throughput screening; chemoproteomics; DNA-encoded library; AS-MS; ternary complex modeling; target engagement; degrader pharmacology; therapeutic translation

(This special issue belongs to the Section Medicinal Chemistry)

Biofilms: Current Trends and Novel Strategies in Food Safety and Environmental Systems

edited by

Suzana Vidaković Knežević

Agapi I. Doulgeraki

and

Carolina Ripolles-Avila

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

Keywords: biofilms; surface contamination; detection methods; biofilm control; food safety; food processing environments; environmental systems; water systems; antimicrobial agents; beneficial biofilms; natural compounds

(This special issue belongs to the Section Food Chemistry)

Advances of Chromatography in Analytical Chemistry

edited by Angelina Rosiak and Paulina Gątarek

submission deadline 31 Mar 2027 | Viewed by 48 | Submission Open

Keywords: chromatography; gas chromatography; liquid chromatography; sample preparation; metabolomics; environmental analysis; food analysis; pharmaceutical analysis

(This special issue belongs to the Section Analytical Chemistry)

Advances in Computational Spectroscopy, 3rd Edition

edited by

Magdalena Sałdyka

submission deadline 31 Mar 2027 | Viewed by 36 | Submission Open

Keywords: spectroscopy; computational spectroscopy in inorganic chemistry; computational spectroscopy in bioinorganic chemistry; computational spectroscopy in biological systems; molecular and supramolecular structure; crystal structure; molecular modelling; time-independent and time-dependent approaches; molecular dynamics; density functional theory (DFT); time-dependent DFT (TD-DFT); coupled cluster (CC) approaches and composite schemes; bottom-up and top-down semi-experimental approaches

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

Advances in Functional Materials for Electrochemical Energy Storage and Conversion

edited by

Maria Manuela Silva

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

Keywords: supercapacitors; sensors; electrochromic devices; batteries; actuators

(This special issue belongs to the Section Materials Chemistry)

Deep Eutectic Solvents: Synthesis and Application in Green Extraction

edited by

Maša Islamčević Razboršek

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

Keywords: deep eutectic solvents (DESs); green extraction; bioactive compounds; natural products; sustainable solvents; analytical chemistry; plant material; sample preparation

(This special issue belongs to the Section Molecular Liquids)

Molecular Design of Sustainable Cereal Products: Upcycled Ingredients, Structure and Bioactive Compounds

edited by

Dorota Teterycz

submission deadline 31 Mar 2027 | Viewed by 33 | Submission Open

Keywords: bioactive compounds; phenolic compounds; cereal products; gluten-free products; upcycled ingredients; bioaccessibility

(This special issue belongs to the Section Food Chemistry)

Array-Based Chemical Sensing: Bioanalysis, Diagnosis, and Data-Driven Recognition

edited by

Xian Hao

submission deadline 31 Mar 2027 | Viewed by 30 | Submission Open

Keywords: array-based chemical sensing; machine learning; chemometrics; bioanalysis; disease diagnosis; POCT

(This special issue belongs to the Section Analytical Chemistry)

Starch-Derived Functional Polymers: Cyclodextrins, Dextrins, and Advanced Gels from Synthesis to Smart Applications

edited by

Gjylije Hoti

and

Fabrizio Caldera

submission deadline 31 Mar 2027 | Viewed by 22 | Submission Open

Keywords: starch-derived polymers; cyclodextrins and dextrins; nanosponges; pH-responsive hydrogels; drug delivery systems; smart biomaterials

(This special issue belongs to the Section Materials Chemistry)

Advanced Luminescent Materials: Design, Mechanism, and Computational Insights

edited by

Lianrui Hu

submission deadline 31 Mar 2027 | Viewed by 21 | Submission Open

Keywords: luminescent materials; aggregation-induced emission; room-temperature phosphorescence; thermally activated delayed fluorescence; circularly polarized luminescence; near-infrared emission; stimuli-responsive materials; crystal engineering; excited-state mechanism; computational materials design

(This special issue belongs to the Section Materials Chemistry)

Structure–Property–Function of Fluorescent Probes for Chemical Applications

edited by Zhourui Xu and Tianruo Shen

submission deadline 31 Mar 2027 | Viewed by 17 | Submission Open

Keywords: fluorescent probe; fluorescent sensor; fluorescence sensing and imaging; structure–property relationship; specific recognition; rational molecular design; photophysical and photochemical property

(This special issue belongs to the Section Applied Chemistry)

Surface Physical Chemistry of Materials and Its Applications—a Themed Issue Dedicated to Professor Edward Sacher

edited by

Dequan Yang

, Gaixia Zhang and Shuhui Sun

submission deadline 31 Mar 2027 | Viewed by 4 | Submission Open

Keywords: surface and interface analysis; surface physical chemistry; metal nanoparticles; polymer–metal interfaces; thin films and surface modification; X-ray photoelectron spectroscopy (XPS)

(This special issue belongs to the Section Materials Chemistry)

Advances in Food Analytical Methods, 2nd Edition

edited by Yahui Guo

submission deadline 31 Mar 2027 | Viewed by 2 | Submission Open

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

(This special issue belongs to the Section Analytical Chemistry)

Fluid Flow in Porous Media

edited by Cetin Canpolat

submission deadline 1 Apr 2027 | Viewed by 160 | Submission Open

Keywords: porous bio-/materials; tissue engineering scaffolds; bioreactor fluid dynamics; mass transport in biological tissues; microfluidics and bioMEMS; non-Newtonian biofluids; membrane filtration

(This special issue belongs to the Section Applied Chemistry)

New Insights into Organic Luminescent Materials

edited by

Hanlin Ou

submission deadline 1 Apr 2027 | Viewed by 110 | Submission Open

Keywords: organic luminescent materials; fluorescent materials; room temperature phosphorescence; thermally activated delayed fluorescence; chemiluminescence; photothermal materials; anti-counterfeiting; information encryption; optoelectronic devices; disease diagnosis and therapy

(This special issue belongs to the Section Photochemistry)

Computational Approaches in Pharmaceutical Chemistry: Challenges and Opportunities

edited by

Roberta Rocca

submission deadline 10 Apr 2027 | Viewed by 501 | Submission Open

Keywords: molecular docking; protein–ligand interactions; structure-based and ligand-based virtual screening; molecular dynamics; pharmacophore modeling; enhanced sampling methods; drug discovery; lead optimization

(This special issue belongs to the Section Medicinal Chemistry)

Quantum Chemistry of the f-Elements

edited by

Attila Kovács

submission deadline 15 Apr 2027 | Viewed by 152 | Submission Open

Keywords: lanthanides; actinides; electronic structure; compounds; relativistic effects; multireference electron correlation methods; density functional theory

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

Lignin: New Insights in Chemistry

edited by

Chiaki Ogino

submission deadline 30 Apr 2027 | 2 articles | Viewed by 6768 | Submission Open

Keywords: lignin valorization; catalytic depolymerization; enzymatic lignin transformation; thermochemical processes; lignin-derived fine chemicals; synthetic biology in lignin research; circular bioeconomy

(This special issue belongs to the Section Green Chemistry)

Health Promoting Compounds in Milk and Dairy Products, 2nd Edition

edited by

Pamela Manzi

and

Mena Ritota

submission deadline 30 Apr 2027 | 3 articles | Viewed by 3766 | Submission Open

Keywords: milk; dairy products; functional compounds; food quality; protein and bioactive peptides; minerals; vitamins; antioxidant compounds; promoting health and well-being

(This special issue belongs to the Section Food Chemistry)

Natural Ingredient-Based Cosmeceutical: Advances and Applications in Cosmetics Chemistry

edited by

Katarzyna Dos Santos Szewczyk

and

Katarzyna Wojciechowska

submission deadline 30 Apr 2027 | 3 articles | Viewed by 2731 | Submission Open

Keywords: natural ingredients; cosmeceuticals; cosmetic chemistry; bioactive compounds; plant extracts; skin health; anti-aging; antioxidants; cosmetic formulation; innovative technologies in cosmetology; safety and toxicology; photoprotection; marine-derived actives; biopolymers; sustainable cosmetics; nano-delivery systems; dermal applications; functional skincare

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Chemical Treatments of Wastewater

edited by

Yi Yang

and

Fuqiang Fan

submission deadline 30 Apr 2027 | 1 articles | Viewed by 2168 | Submission Open

Keywords: wastewater treatment processes; purification mechanism; environmental remediation materials; water reuse

(This special issue belongs to the Section Green Chemistry)

Synthesis and Characterization of Heterocycles with Potential Applications

edited by

Maria João Queiroz

submission deadline 30 Apr 2027 | 1 articles | Viewed by 1043 | Submission Open

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

(This special issue belongs to the Section Organic Chemistry)

Characterization of Bioactive Compounds from Plant Metabolites

edited by

Olimpo García-Beltrán

and

Carlos Areche

submission deadline 30 Apr 2027 | 2 articles | Viewed by 1001 | Submission Open

Keywords: natural products chemistry; metabolomics; structural elucidation; analytical techniques; biological activity; bioinformatics; chemometrics

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

Advances in Small-Molecule Cancer Therapeutics: Current Challenges and Future Perspectives

edited by

Mehlika Dilek Altıntop

and Gülşen Akalın Çiftçi

submission deadline 30 Apr 2027 | 1 articles | Viewed by 674 | Submission Open

Keywords: cancer; targeted therapy; anticancer drug discovery; lead identification; small molecules; cancer-related targets; signaling pathways in cancer; emerging approaches to anticancer drug design; targeted drug delivery

(This special issue belongs to the Section Medicinal Chemistry)

Molecular Toxicology and Applied Pharmacology

edited by

Guohui Sun

and Yunsong Mu

submission deadline 30 Apr 2027 | 1 articles | Viewed by 657 | Submission Open

Keywords: molecular toxicology; applied pharmacology; molecular diagnosis; drug safety and toxicity; pharmacokinetics and pharmacodynamics; mechanisms of toxicity; computational toxicology and AI; drug discovery and therapeutics

(This special issue belongs to the Section Medicinal Chemistry)

Exploring the Natural Antioxidants in Foods—2nd Edition

edited by

Ewa Piątkowska

and Mariola Drozdowska

submission deadline 30 Apr 2027 | 1 articles | Viewed by 519 | Submission Open

Keywords: antioxidants; non-communicable diseases; vegetables; fruit; free radicals

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

Kinetic and Mechanistic Studies on Multifunctional Antioxidants

edited by

Adriana Perez-Gonzalez

submission deadline 30 Apr 2027 | Viewed by 503 | Submission Open

Keywords: thermodynamic; kinetic; quantum chemistry; reaction paths; oxidative stress; protective effect; ROS inhibition; reactivity

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

Synthesis and Biological Properties of Natural Product Analogues

edited by

Zhiran Ju

and

Lijian Ding

submission deadline 30 Apr 2027 | Viewed by 406 | Submission Open

Keywords: natural product analogues; synthesis; biological evaluation; structure–activity relationship (SAR); NP-based therapeutic agents; pharmacophores

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

Preparation, Characterization and Application of Activated Carbons

edited by

Karolina Kiełbasa

and

Joanna Sreńscek-Nazzal

submission deadline 30 Apr 2027 | Viewed by 293 | Submission Open

Keywords: activated carbons; carbon materials; adsorption; absorption; adsorbents; porous materials; biomass-derived porous materials; catalysts; modeling

(This special issue belongs to the Section Materials Chemistry)

Design, Mechanism, and Applications of Photoinduced/Photocatalyzed Multicomponent Reactions

edited by

Andrea Basso

and

Lisa Moni

submission deadline 30 Apr 2027 | Viewed by 228 | Submission Open

Keywords: photocatalysis; photochemistry; multicomponent reactions; visible-light synthesis; atom economy; reaction mechanisms; sustainable chemistry

(This special issue belongs to the Section Organic Chemistry)

Molecular Design for Drug Discovery: Multitarget Strategies and Emerging Therapeutics

edited by

Belgin Sever

and

Halil İbrahim Ciftci

submission deadline 30 Apr 2027 | Viewed by 142 | Submission Open

Keywords: multitarget drug discovery; medicinal chemistry; molecular design; structure-based drug design; computer-aided drug design (CADD); artificial intelligence in drug discovery; molecular docking; molecular dynamics simulation; polypharmacology; structure–activity relationship (SAR); fragment-based drug design; targeted protein degradation; PROTACs; natural products; drug repurposing; small-molecule therapeutics; kinase inhibitors; lead optimization; computational chemistry; experimental pharmacology

(This special issue belongs to the Section Medicinal Chemistry)

Recent Advances in Bioactive Compounds from Functional Foods

edited by Merve Tomas

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

Keywords: bioactive compounds; functional foods; bioavailability; food matrix; delivery systems; encapsulation; food processing; gastrointestinal digestion; by-product valorization

(This special issue belongs to the Section Food Chemistry)

Bioactive Compounds and Antioxidant Activity from Natural Products: New Findings and Potential Applications

edited by

Huseyin Sahin

submission deadline 30 Apr 2027 | Viewed by 100 | Submission Open

Keywords: antioxidant activity; bee products; bioactive compounds; chromatographic analysis; enzyme inhibition; functional foods; natural products; phenolic compounds

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

Nucleic Acid Mimetics: Synthesis, Probe Design and Bioanalytical Applications

edited by

Eylon Yavin

submission deadline 30 Apr 2027 | Viewed by 65 | Submission Open

Keywords: nucleic acid mimics; XNA; molecular probes; sensors; bioanalytes; biomarkers

(This special issue belongs to the Section Chemical Biology)

Molecular Mechanisms of Food Protein–Bioactive Compound Interactions and Functional Food Design

edited by

Mirjana Radomirovic

Nikola Gligorijević

and

Ana Belén Martín Diana

submission deadline 30 Apr 2027 | Viewed by 59 | Submission Open

Keywords: food protein; bioactive compound; functional food; bioconjugate; protein–ligand interaction

(This special issue belongs to the Section Food Chemistry)

G Protein-Coupled Receptors (GPCR) in Drug Discovery

edited by Fatma Töre and

İlknur Birsen

submission deadline 30 Apr 2027 | Viewed by 53 | Submission Open

Keywords: G protein-coupled receptors (GPCRs); drug discovery; cell signaling; molecular pharmacology; therapeutic targets; structure-based drug design

(This special issue belongs to the Section Medicinal Chemistry)

Molecular Mechanisms of Rhizosphere Microbe–Plant Interactions: Chemical Signaling, Metabolite Exchange and Synergistic Networks

edited by

Qilin Yu

submission deadline 30 Apr 2027 | Viewed by 46 | Submission Open

Keywords: rhizosphere microbiome; plant–microbe interaction; stress resilience; nutrient supply; sustainable agriculture

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

Emerging Trends in Dye-Sensitized Solar Cells

edited by

Jesus Baldenebro-López

submission deadline 30 Apr 2027 | Viewed by 41 | Submission Open

Keywords: dye-sensitized solar cells; organic optoelectronic materials; coordination chemistry; density functional theory; molecular modeling; molecular photovoltaics; interfacial charge transfer

(This special issue belongs to the Section Colorants)

Food Hydrocolloids: Physicochemical and Bioactive Properties and Applications

edited by

Ahmet Yemenicioglu

and

Elif Çavdaroğlu

submission deadline 30 Apr 2027 | Viewed by 38 | Submission Open

Keywords: hydrocolloid; protein; polysaccharide; techno-functional; bioactive; physicochemical; films; prebiotic; encapsulation; nanoencapsulation; emulsion stabilization

(This special issue belongs to the Section Food Chemistry)

Functional Inorganic and Hybrid Nanomaterials: Synthesis Methods, Properties, Recent Progress, and Challenges

edited by

Cristian Matei

and

Mihaela Deaconu

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

Keywords: metal nanocrystals; quantum dots; metal oxides; allotropic forms of carbon; micro and mesoporous materials; catalysts; carriers; luminophores; synthesis methods

(This special issue belongs to the Section Materials Chemistry)

Novel Metabolism-Related Biomarkers in Cancer, 2nd Edition

edited by

Julieta Alexandra Pereira Afonso

and

Maria de Fátima Monginho Baltazar

submission deadline 30 Apr 2027 | Viewed by 20 | Submission Open

Keywords: cancer biomarkers; personalized medicine; metabolism; glucose; amino acid; glutamine; lipid; iron

(This special issue belongs to the Section Chemical Biology)

Sustainable Bio-Based Materials: Design, Synthesis, and Applications

edited by

Xiaoling Wang

submission deadline 30 Apr 2027 | Viewed by 10 | Submission Open

Keywords: bio-based materials; sustainable design; green synthesis; biomass (including chitosan, chitin, starch, and biomass waste, etc.); biodegradability; structure–property relationships; functional applications (food packaging, biomedicine, catalysis, etc.); circular bioeconomy (including recycling and end-of-life)

(This special issue belongs to the Section Materials Chemistry)

Recent Research on Modeling Interaction in Biomolecules

edited by Jaroslav V. Burda

submission deadline 30 Apr 2027 | Viewed by 6 | Submission Open

Keywords: quantum theory of molecules; molecular dynamics; Monte Carlo simulations; nucleic acids and protein dynamics; anticancer treatment; machine learning; data-base formation

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

Crystal and Molecular Structure: Theory and Application

edited by

Łukasz Szeleszczuk

submission deadline 31 May 2027 | 3 articles | Viewed by 4321 | 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)

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 2602 | 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 1314 | 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 883 | 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)

Displaying special issue 1201-1250 on page 25 of 26.

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