Journal Description
Chemistry
Chemistry
is an international, peer-reviewed, open access journal on chemistry published monthly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, ESCI (Web of Science), CAPlus / SciFinder, and other databases.
- Journal Rank: CiteScore - Q2 (Inorganic Chemistry)
- Reliable service: rigorous peer review and professional production.
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 13 days after submission; acceptance to publication is undertaken in 3.9 days (median values for papers published in this journal in the first half of 2026).
- Recognition of Reviewers: Reviewers whose reports are timely and of high quality receive an APC discount voucher for a future publication in an MDPI journal. Become a reviewer.
- Extra benefits: no space constraints, no color charges.
- Journal Cluster of Chemical Reactions and Catalysis: Catalysts, Chemistry, Electrochem, Inorganics, Molecules, Organics, Oxygen, Photochem, Reactions, Sustainable Chemistry and Molbank.
Impact Factor:
2.6 (2025);
5-Year Impact Factor:
2.8 (2025)
Latest Articles
Physics-Informed Descriptor Engineering and Explainable Machine Learning Reveal the Quantum Mechanical Origins of Electronic Dielectric Response in Oxide Materials
Chemistry 2026, 8(9), 129; https://doi.org/10.3390/chemistry8090129 (registering DOI) - 12 Sep 2026
Abstract
A physics-informed machine-learning model was created to forecast the dielectric constant of oxide materials. The study explores the physicochemical descriptors that govern the response of the materials. A set of 3304 non-metallic oxide compounds was built using the Materials Project database. A comprehensive
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A physics-informed machine-learning model was created to forecast the dielectric constant of oxide materials. The study explores the physicochemical descriptors that govern the response of the materials. A set of 3304 non-metallic oxide compounds was built using the Materials Project database. A comprehensive feature space with 23 original and composition-derived variables as well as 10 physics-informed engineered variables representing electronic, thermodynamic, structural, magnetic, and chemical descriptors was constructed. This workflow included model benchmarking, hyperparameter optimization, repeated training (10 times) and testing, consensus feature selection, and SHapley Additive exPlanations (SHAP) analysis. Optimized XGBoost model was the model with the best overall predictive ability. A reduced representation of 25 descriptors was obtained by consensus-based feature selection that performed close to the complete 33-descriptor representation (MAE = 0.611, RMSE = 1.052, and R2 = 0.699). The SHAP analysis revealed that the descriptors associated with chemical properties, electronic excitation and atomic packing were key to the model predictions. The results indicate that the electronic dielectric response is related to a combination of a few physicochemical aspects instead of a single descriptor. The proposed framework offers an intuitive, data-centric method for examining the evolution of dielectric properties, and it can be used to screen and hypothesize oxide materials with desired electronic dielectric response.
Full article
(This article belongs to the Topic New Advances in Luminescent Materials)
Open AccessArticle
Aqueous Synthesis of Mn-Doped ZnInS/ZnS Core/Shell Quantum Dots with Enhanced Optical Properties and Sensitivity for Priority Pollutants
by
Rodney Maluleke and Oluwatobi Samuel Oluwafemi
Chemistry 2026, 8(9), 128; https://doi.org/10.3390/chemistry8090128 - 11 Sep 2026
Abstract
The development of less toxic nanoparticles capable of producing and selectively sensing organic pollutants remains a significant challenge in biological and environmental applications. In this study, ZnInS/ZnS quantum dots (QDs) were synthesized via an aqueous-phase doping approach to integrate manganese (Mn) and enhance
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The development of less toxic nanoparticles capable of producing and selectively sensing organic pollutants remains a significant challenge in biological and environmental applications. In this study, ZnInS/ZnS quantum dots (QDs) were synthesized via an aqueous-phase doping approach to integrate manganese (Mn) and enhance the singlet oxygen quantum yield (SOQY). The as-synthesized QDs displayed an average particle size of 7.40 nm, prolonged photoluminescence lifetimes, and tunable emission characteristics. Introduction of Mn into the host QDs enhanced the absolute quantum yield by up to twofold at the optimal concentrations, while the increased concentrations resulted in reduced luminescence due to increased non-radiative recombination. The surface chemistry of stabilizing agents further improved the formation of singlet oxygen. Thioglycolic acid (TGA)- and gelatin-capped QDs generated higher SOQY than QDs capped with citrate and TGA. Furthermore, as-synthesized Mn-doped QDs detected different organic pollutants such as trinitrophenol (TNP), dichlorophenol (DCP), naphthalene (NP), phenanthrene (PH), and pyrene (PY). Among these pollutants, TNP showed quenching behavior, while the others showed enhancement behavior. The QDs detected 620 µM of TNP following a linear Stern–Volmer relationship. These results show the potential of water-soluble Mn–ZnInS/ZnS QDs as multifunctional nanoprobes for phototherapy and environmental sensing applications.
Full article
(This article belongs to the Special Issue Fluorescent Chemosensors and Probes for Detection and Imaging)
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Open AccessReview
Extending the CO2 Value Chain: Formic Acid as a Bridge Chemical Toward a Net-Zero Circular Carbon Economy
by
Zoltán Köntös
Chemistry 2026, 8(9), 127; https://doi.org/10.3390/chemistry8090127 - 10 Sep 2026
Abstract
Reaching net-zero emissions requires more than displacing fossil combustion with renewable electricity; several of the largest industrial emitters—cement, steel, chemicals, and aviation—cannot be fully electrified with current technology, and captured carbon dioxide (CO2) itself must find a productive destination rather than
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Reaching net-zero emissions requires more than displacing fossil combustion with renewable electricity; several of the largest industrial emitters—cement, steel, chemicals, and aviation—cannot be fully electrified with current technology, and captured carbon dioxide (CO2) itself must find a productive destination rather than remain a permanent liability. Converting CO2 into formic acid (HCOOH) has emerged as one of the more mature answers to that second problem. Formic acid combines a respectable hydrogen content (4.4 wt%), a stable liquid state at ambient conditions, and comparatively benign handling relative to gaseous or cryogenic hydrogen, positioning it as both a chemical feedstock and an energy carrier. This review synthesizes the current state of CO2-to-HCOOH conversion across thermochemical, electrochemical, photocatalytic, and biocatalytic routes; examines formic acid’s performance as a liquid organic hydrogen carrier (LOHC) and direct fuel-cell fuel; and evaluates the technology through a recently published pilot-scale case study of a photocatalytic reactor, branded RK-X, developed by the author’s employer—presented here as a single illustrative example rather than a representative benchmark—to show both the promise and the unresolved energetic and economic questions still facing the field. We conclude that formic acid-based CO2 utilization is technically credible and policy-relevant, but that claims of net energy or carbon benefit must be assessed pathway-by-pathway, powered overwhelmingly by low-cost renewable electricity, and confirmed through independent life-cycle assessment before the technology can be considered a settled pillar of the net-zero toolkit.
Full article
(This article belongs to the Special Issue Sustainable Chemistry for a Net Zero World)
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Open AccessArticle
Solvent-Dependent Photophysical Properties of Eu(TTA)3Phen: A Comprehensive Study
by
Bryan Vargas, Mikhail N. Ryazantsev and Andrey Mereshchenko
Chemistry 2026, 8(9), 126; https://doi.org/10.3390/chemistry8090126 - 10 Sep 2026
Abstract
The solvent dependence of the optical properties of tris(thenoyltrifluoroacetonate)(1,10-phenanthroline)europium(III) (Eu(TTA)3Phen) solution was studied in chloroform, dichloromethane, toluene, acetonitrile, acetone, N,N-dimethylformamide, dimethyl sulfoxide, and methanol. The optical properties of solid Eu(TTA)3Phen were carefully studied for comparison. The absorption spectra are
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The solvent dependence of the optical properties of tris(thenoyltrifluoroacetonate)(1,10-phenanthroline)europium(III) (Eu(TTA)3Phen) solution was studied in chloroform, dichloromethane, toluene, acetonitrile, acetone, N,N-dimethylformamide, dimethyl sulfoxide, and methanol. The optical properties of solid Eu(TTA)3Phen were carefully studied for comparison. The absorption spectra are dominated by ligand-centered bands, with only minor solvent-induced changes in the absorption maxima. Upon excitation into the ligand band, the emission spectra containe the characteristic narrow transition bands of europium(III), indicating efficient ligand-to-metal energy transfer. The photochemical properties of Eu(TTA)3Phen significantly depend on the solvent. Nonpolar and weakly coordinating solvents preserve longer lifetimes and higher solution quantum yields, with maxima in chloroform (14.7%) and toluene (13.7%). In contrast, methanol produces the strongest perturbation, yielding the shortest lifetime (0.364 ms), highest nonradiative rate (1427 s−1), lowest Eu(III) internal quantum yield (48.0%), and lowest photoluminescence quantum yield (4.6%). Analysis of radiative/nonradiative rates and 5D0-level formation quantum yield shows that solvent-dependent luminescence arises from changes in both the Eu3+-radiative transition efficiency and ligand-to-metal sensitization, providing design guidelines for solution-processable Eu3+ emitters.
Full article
(This article belongs to the Special Issue Modern Photochemistry and Molecular Photonics)
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Open AccessArticle
N-Doping of Biochar and Support Strategies to Enhance the Catalytic Activity of CuFe2O4 for Persulfate-Promoted Methylene Blue Degradation
by
Xinhui Wei, Quanlong Huang, Long Wen, Kaiyun Luo, Qianhui Zhang, Xiaoyue Xie and Congjin Chen
Chemistry 2026, 8(9), 125; https://doi.org/10.3390/chemistry8090125 - 9 Sep 2026
Abstract
The copper ferrite/nitrogen-doped biochar (CuFe2O4/Nx-BC) was synthesized by a one-step sol–gel pyrolysis method, and its efficiency in activating PS to degrade MB was evaluated. The influences of preparation conditions, degradation conditions, and common anions on the degradation
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The copper ferrite/nitrogen-doped biochar (CuFe2O4/Nx-BC) was synthesized by a one-step sol–gel pyrolysis method, and its efficiency in activating PS to degrade MB was evaluated. The influences of preparation conditions, degradation conditions, and common anions on the degradation efficiency of MB were investigated, and the mechanism of CuFe2O4/N0.5-BC activating PS was inferred. The results showed the saturation magnetization of CuFe2O4/N0.5-BC was 25.53 emu/g. Under the optimal degradation conditions, compared to PS alone, the degradation efficiency of MB in the CuFe2O4/N0.5-BC + PS system increased from 26.2% to 94.1%, the reaction rate constant in the CuFe2O4/N0.5-BC + PS system (0.02954 min−1) was 9.12 times higher than that in the PS alone system (0.00324 min−1); Compared to the CuFe2O4/BC system, the degradation efficiency of MB in the CuFe2O4/N0.5-BC + PS system increased from 34% to 94.1%, while the reaction rate constant is 1.1 times that in the CuFe2O4/BC + PS system. After CuFe2O4/N0.5-BC underwent five cycles of application, the degradation efficiency of MB in the CuFe2O4/N0.5-BC + PS still reached 87.5%. SO4•− plays a major role, •OH played a certain role and O2•− was also responsible for the degradation of MB in the CuFe2O4/N0.5-BC + PS system. CuFe2O4/N0.5-BC is a green and effective catalyst for the PS-AOP method to treat MB-contaminated water.
Full article
(This article belongs to the Section Catalysis)
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Open AccessArticle
Study on Process Parameters for Highly Selective Synthesis of Ethanol from Methanol, Carbon Dioxide and Hydrogen
by
Wenmeng Wang, Cong Liu, Hongxing Wang, Jie Li, Jia Guo, Qingli Qian and Buxing Han
Chemistry 2026, 8(9), 124; https://doi.org/10.3390/chemistry8090124 - 9 Sep 2026
Abstract
This study investigates the highly selective synthesis of ethanol from methanol, CO2, and H2 over a Ru-Co bimetallic catalyst, focusing on reaction condition optimization, kinetics, scale-up feasibility, and catalyst stability. The optimal reaction conditions were identified as 170 °C, a
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This study investigates the highly selective synthesis of ethanol from methanol, CO2, and H2 over a Ru-Co bimetallic catalyst, focusing on reaction condition optimization, kinetics, scale-up feasibility, and catalyst stability. The optimal reaction conditions were identified as 170 °C, a (CO + CO2)/H2 initial pressure ratio of 1:13.33, a CO/CO2 initial pressure ratio of 1:3, a methanol/catalyst solution mass ratio of 1:18.96, and a reaction time of 1~4 h, at which the space–time yield (STY) of ethanol exceeded 2 g·L−1·h−1 while the ethanol selectivity remained above 93%. Kinetic analysis confirmed the methanol–CO hydrogenation pathway (Ea = 43.42 kJ·mol−1) as the dominant route for ethanol formation, with the reverse water–gas shift (RWGS) reaction serving as the temperature-sensitive key step for in situ CO generation. Scale-up from a 20 mL to 3 L reactor showed similar catalytic performance. Notably, the catalyst showed excellent long-term stability over 30 recycling runs (150 cumulative hours). This work provides a mild, efficient, and scalable route for ethanol production from CO2 and methanol, aligned with carbon neutrality strategies.
Full article
(This article belongs to the Special Issue Reduction of CO2 to Value-Added Oxygenates)
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Open AccessArticle
Pretrained 3D Molecular Representations Enable Data-Efficient Discovery of High-Energy-Density Fuels
by
Wenxi Zhai, Jinzhe Zeng, Shuwen Zhang, Zhaolin Fu, Weiping Zheng, Sining Wang, Wenting Chen, Shuanhu Gao and Tong Zhu
Chemistry 2026, 8(9), 123; https://doi.org/10.3390/chemistry8090123 - 7 Sep 2026
Abstract
High-energy-density hydrocarbon (HEDH) fuels are essential for aerospace propulsion, yet the design of such fuels is limited by the scarcity of reliable property data. In this work, we fine-tuned Uni-Mol, a pretrained three-dimensional (3D) molecular representation learning framework, on a dataset of 316,069
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High-energy-density hydrocarbon (HEDH) fuels are essential for aerospace propulsion, yet the design of such fuels is limited by the scarcity of reliable property data. In this work, we fine-tuned Uni-Mol, a pretrained three-dimensional (3D) molecular representation learning framework, on a dataset of 316,069 hydrocarbons from GDB-13. Each molecule in the dataset was labeled with six physicochemical properties calculated using the group contribution method. With only 1% of the training set, Uni-Mol achieved a flash-point mean absolute error (MAE) of 1.67 K. After further training on hydrocarbons with a broader carbon-number range, the model achieved coefficients of determination (R2) of 0.9672–0.9998 across six GDB-17 properties. High-throughput screening of this subset identified seven polycyclic candidates with exceptional energy density and thermal stability. These results demonstrate the potential of pretrained 3D molecular representations for data-efficient molecular discovery and provide a scalable framework for the accelerated identification of next-generation energetic materials. This work provides a foundation for future experimental validation.
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(This article belongs to the Special Issue AI and Big Data in Chemistry)
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Open AccessArticle
Smallest Möbius Aromatic Metallaborocycle and MB2: B-B Bond Strengthening Versus Weakening
by
Amit Das, Palash J. Thakuria and Ankur K. Guha
Chemistry 2026, 8(9), 122; https://doi.org/10.3390/chemistry8090122 - 2 Sep 2026
Abstract
Dewar–Chatt–Duncanson (DCD) model has been the celebrated model in describing metal–ligand donation and backdonation. However, this runs counter in the case of M-diborene and M-diboron complexes with early transition metals where B-B bond strengthening has been observed. However, the present study reveals that
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Dewar–Chatt–Duncanson (DCD) model has been the celebrated model in describing metal–ligand donation and backdonation. However, this runs counter in the case of M-diborene and M-diboron complexes with early transition metals where B-B bond strengthening has been observed. However, the present study reveals that with late transition metals, the usual DCD model is preserved and the weakening of B-B bond in MB2 complexes (M = Ni, Pd, Pt) is observed. Electronic structure analysis has rationalized the opposite bonding scenario. Interestingly, all these MB2 (M = late transition metals) species are found to possess Möbius aromaticity while the early transition metal MB2 complexes are Hückel aromatic.
Full article
(This article belongs to the Section Theoretical and Computational Chemistry)
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Open AccessArticle
Coordinate-Free Scientific Machine Learning Reveals Sequence-Dependent Electronic Regimes in Peri-Metalated Polyacenes: From Dominant Size/Composition Trends to Reproducible Local Arrangement Effects
by
Dinesh V. Vidhani, Thalia Sautie, Diana D. Vidhani, Daniela Marquez Paulin, Melani Casanueva, Prabuddha A. Vyas and Manoharan Mariappan
Chemistry 2026, 8(9), 121; https://doi.org/10.3390/chemistry8090121 - 1 Sep 2026
Abstract
Rigid carbon frameworks in organic semiconductors restrict the tunability of their electronic and spin properties. Peri-metalation of polyacenes with coinage metals, particularly gold and copper, offers a route to electronic regimes not attainable in conventional organic systems, yet navigating this hybrid space often
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Rigid carbon frameworks in organic semiconductors restrict the tunability of their electronic and spin properties. Peri-metalation of polyacenes with coinage metals, particularly gold and copper, offers a route to electronic regimes not attainable in conventional organic systems, yet navigating this hybrid space often requires exhaustive quantum chemical sampling. This study integrates density functional theory with a small-data scientific machine learning framework to show that global electronic trends, including bandgaps, ionization energies, and electron affinities, can be captured by minimalist, coordinate-free descriptors. The hybrid architecture combines an analytical baseline defined only by inverse ring size and Au/Cu counts with coordinate-free residual learning that utilizes discrete metal sequence and topology descriptors. The original 53-descriptor residual model offers a chemically comprehensive representation, whereas a reduced 4-descriptor model assesses the persistence of principal predictive trends following significant dimensionality reduction. By circumventing explicit atomic coordinates, geometric parameters, orbital energies, wavefunctions, and interaction energies as model inputs, both models successfully recover chemically meaningful electronic properties and trends across the polyacene series while remaining sensitive to subtle local sequence effects. Systematic model–DFT deviations serve as diagnostic indicators, revealing that Cu-rich extended acenes represent a regime where the learned size and composition scaling is quantitatively insufficient, thereby necessitating further electronic structure analysis. While gold metalation yields stable, predictable electronic structures, copper incorporation drives the system into “emergent” regimes characterized by extreme bandgap narrowing and near-degenerate singlet–triplet states. This work establishes a framework in which machine learning performance itself marks the boundary of simple chemical trends, offering a rational approach to the discovery of low-bandgap, spin-sensitive hybrid semiconductors.
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(This article belongs to the Special Issue AI and Big Data in Chemistry)
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Open AccessArticle
Thermodynamics, Equilibrium and Kinetic Evaluation of Lead Ion Interactions on Zinc Salt of Trimesic Acid MOF in Aqueous Solution
by
Charity W. Dikio, Samuel Ukachuku and Fanyana M. Mtunzi
Chemistry 2026, 8(9), 120; https://doi.org/10.3390/chemistry8090120 - 31 Aug 2026
Abstract
Adsorptive interactions between adsorbents and toxic contaminants are significantly exploited to the advantage of water treatment goals. In this study, adsorptive interactions in aqueous solution between Pb (II) ions and a lowly toxic and structurally robust metal–organic framework, zinc-trimesate framework (Zn-H3btc),
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Adsorptive interactions between adsorbents and toxic contaminants are significantly exploited to the advantage of water treatment goals. In this study, adsorptive interactions in aqueous solution between Pb (II) ions and a lowly toxic and structurally robust metal–organic framework, zinc-trimesate framework (Zn-H3btc), were evaluated using thermodynamic, equilibrium and kinetic models to establish the capacity of the material to adsorb Pb (II) ions from water. Zn-H3btc was synthesized by refluxing mixtures of zinc nitrate and trimesic acid in DMF solvent and characterized using FTIR, SEM, EDS, PXRD, TGA and DTG methods. Adsorption experiments were carried out on the basis of variation in initial concentration, contact time, pH, adsorbent dosage, and temperature. Langmuir isotherm was the best-fitting isotherm. The maximum monolayer adsorption capacity of Zn-H3btc was 54.05 mg/g. Kinetic studies revealed a pseudo-second-order controlled adsorption process, and hence a chemisorption mechanism. The thermodynamic parameters, Gibbs free energy, ΔG, activation energy, Ea, sticking probability, S*, and isosteric heat of adsorption ΔHx, indicated that the adsorption process was spontaneous and required a minimal energy barrier; however, it had a fairly large amount of isosteric heat (133.39 kJ/mol) released. The findings confirm the applicability of Zn-H3btc as an adsorbent of Pb (II) ions in aqueous solution.
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(This article belongs to the Topic Advanced Nanostructures for Environmental and Biomedical Applications)
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Tetrakis(oxadiazolyl)benzenes and -Pyrazines: Novel Fluorescent Cruciform Liquid Crystals
by
Vincent Graschtat, Nico Achenbach, Matthias Lehmann and Heiner Detert
Chemistry 2026, 8(9), 119; https://doi.org/10.3390/chemistry8090119 - 29 Aug 2026
Abstract
This study investigates the fluorescent and mesomorphic properties of tetrakis(oxadiazolyl)benzenes (TOBEs) and -pyrazines (TOPYs), novel cruciform liquid crystals. The impact of a set of four side chains on optical and mesomorphic properties is reported. TOBE absorbs in the UV range (~360 nm), while
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This study investigates the fluorescent and mesomorphic properties of tetrakis(oxadiazolyl)benzenes (TOBEs) and -pyrazines (TOPYs), novel cruciform liquid crystals. The impact of a set of four side chains on optical and mesomorphic properties is reported. TOBE absorbs in the UV range (~360 nm), while substituting the central benzene ring by pyrazine (TOPY) shifts the absorption maximum to 396 nm but lowers the fluorescence quantum yield (TOBE: 72%; TOPY: 21%; in toluene). Fluorescence in the green-to-orange range is influenced by solvent polarity. Mesophase analysis shows quite narrow phases (~20 K) for TOBE. As the pyrazine core lowers the melting point and elevates the clearing temperature, huge mesophase ranges (~80–90 K) are detected for TOPY. Side chain variations further influence material properties: TOBE with linear alkyl chains exhibits multiple crystal–crystal transitions, while branching enhances mesophase stability and alters fluorescence characteristics. The Huisgen reaction provides a cost-effective synthetic route for these fluorescent mesogens, offering high yields and efficiency.
Full article
(This article belongs to the Special Issue Materials with Liquid–Crystalline Properties—Structure, Stimuli Responsiveness and Functionality)
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Open AccessReview
α-Phosphonocinnamates and Coumarin-3-phosphonates: A Survey of Synthetic Methods
by
Igor V. Trushkov, Andrey V. Kuleshov and Vitaly A. Shcherbinin
Chemistry 2026, 8(9), 118; https://doi.org/10.3390/chemistry8090118 - 27 Aug 2026
Abstract
This review summarizes the methods for the synthesis of α-phosphonocinnamates and their heterocyclic analogs, which have found important applications in materials chemistry, as convenient building blocks in organic synthesis and in other areas of science and technology. Five complementary disconnections are critically compared:
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This review summarizes the methods for the synthesis of α-phosphonocinnamates and their heterocyclic analogs, which have found important applications in materials chemistry, as convenient building blocks in organic synthesis and in other areas of science and technology. Five complementary disconnections are critically compared: (i) Knoevenagel condensation of phosphonoacetates or phosphonoacetic acid with (hetero)aromatic aldehydes and N-tosylimines under amine, amine/carboxylic acid, or amine/Lewis acid catalysis; (ii) arsine-mediated condensation of 2-bromophosphonoacetates with aldehydes; (iii) Mn(III)- or Ag(I)-mediated radical C–P bond formation on cinnamic esters; (iv) phosphine-catalyzed hydrophosphonylation of arylpropiolates; and (v) Heck coupling of aryldiazonium salts with α-phosphonoacrylates. The factors that govern (E)/(Z) selectivity, the substrate scope (electron-rich versus electron-deficient (hetero)arenes), and the chemoselectivity issues encountered with salicylaldehydes—where acyclic phosphonocinnamates, 3-phosphonocoumarins, and [1,2]benzoxaphosphinines (2-phosphacoumarins) compete—are analyzed in detail. A dedicated section covers the synthesis of coumarin-3-phosphonates, including Knoevenagel-type cyclization, Mn(III), Ag(I), Cu or Pd-catalyzed and electrochemical phosphorylation of preformed coumarins, decarboxylative phosphorylation, and intramolecular cyclization strategies. Conflicting literature reports are reconciled where possible, and the practical strengths and limitations of each protocol are highlighted to guide method selection.
Full article
(This article belongs to the Special Issue Celebrating the 50th Anniversary of Professor Valentine Ananikov)
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Open AccessReview
Marine Pigments as Drugs, and Other Applications: Where Are We?
by
Amro Abd Al Fattah Amara
Chemistry 2026, 8(9), 117; https://doi.org/10.3390/chemistry8090117 - 26 Aug 2026
Abstract
The use of different marine resources, including various colouring agents, is rooted in human history. They have been used as nutrients and medicaments and in luxury products. Readily available marine biological pigments (MBPs) are considered inexpensive materials, since they can be used as
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The use of different marine resources, including various colouring agents, is rooted in human history. They have been used as nutrients and medicaments and in luxury products. Readily available marine biological pigments (MBPs) are considered inexpensive materials, since they can be used as colourants. MBPs form part of the ‘’blue technology’’ approach for industrial colouring applications, including staining, textile dyeing, and uses to give fashionable colours to luxury products. They serve as nutrient additives, cosmetic ingredients, and as parts of beauty products. Today, they still are broadly used in the context of diverse new applications. MBPs can be concentrated differently on the bodies of marine creatures, providing each pigment its unique colour and properties. MBPs like carotenoids can complement important cell activities, like photosynthesis. They can function independently or support other micro- and macromolecules. MBPs are essential for their host’s survival. Outside their primary hosts (in the context of uses on and in consumers’ corpora), they either stay unmodified or can be changed by association with specific micro- and macromolecules. A few types of MBPs have been extracted, purified, identified, and formulated as drugs or pure chemicals. MBPs share common properties, such as functioning as antioxidants, can protect against sunlight and UV waves, and can improve vision. They take part in health protection and disease treatment, including anticancer, anti-inflammatory, anti-neurodegeneration, anti-ageing, and anti-wrinkle functions, and can function as an antimicrobial. With many undiscovered properties, MBPs represent a source for de novo applications with innumerable chances that might offer mastery of the fields of colour-based applications. This review summaries the importance of MBPs and addresses important applicable properties that make them attractive for nutraceutical, medicinal, pharmaceutical, and cosmeceutical uses, in addition to various industrial applications, and discusses historical and contemporary facts that have attracted human attention, both in the past and today, along with setting out expectations for the future of MBPs.
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(This article belongs to the Section Medicinal Chemistry)
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Open AccessArticle
Photo-Triggered Directional Movement of a Water Droplet on Surfaces by Liquid Crystal Elastomers
by
Shuhua Li, Yan Lin, Yanping Deng and Jiawen Chen
Chemistry 2026, 8(9), 116; https://doi.org/10.3390/chemistry8090116 - 26 Aug 2026
Abstract
The precise control of droplet movement on surfaces remains a major challenge in the field of smart surfaces. Conventional systems based on light, electric, or magnetic stimuli often require the addition of corresponding photothermal, conductive, or magnetic particles into the droplets, which may
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The precise control of droplet movement on surfaces remains a major challenge in the field of smart surfaces. Conventional systems based on light, electric, or magnetic stimuli often require the addition of corresponding photothermal, conductive, or magnetic particles into the droplets, which may lead to droplet contamination and hinder encapsulation of drugs or cells for practical application. In the present study, a photo-responsive composite functional surface was designed and prepared. The functional surface contains a liquid crystal elastomer (LCE) layer which is placed underneath a pre-lubricated polydimethylsiloxane surface. Taking advantage of the photo-induced thermal response of the cross-linked LCE network, upon local irradiation with ultraviolet light, the illuminated region of the LCE layer rapidly generates dynamic heating, creating a temperature gradient across the droplet. This gradient alters the surface tension of the solid surface, disrupts the symmetry of contact angles of the droplet, thereby inducing directional droplet movement along the surfaces. The present study provides a non-contact and fast approach for the fabrication of smart surfaces towards more complex droplet manipulation.
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(This article belongs to the Special Issue Materials with Liquid–Crystalline Properties—Structure, Stimuli Responsiveness and Functionality)
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Open AccessArticle
Mn3O4–Polydopamine Hybrid Hydrogel for Alleviation of Radiation-Induced Hyposalivation
by
Xinli Liu and Yingyi Luo
Chemistry 2026, 8(9), 115; https://doi.org/10.3390/chemistry8090115 - 25 Aug 2026
Abstract
Radiation-induced salivary gland injury (RISGI) is an inevitable and serious complication for patients with head and neck cancer. Reactive oxygen species (ROS) generated during radiotherapy are the primary cause. Hyposalivation is the most obvious symptom of RISGI. Currently, clinical interventions have not achieved
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Radiation-induced salivary gland injury (RISGI) is an inevitable and serious complication for patients with head and neck cancer. Reactive oxygen species (ROS) generated during radiotherapy are the primary cause. Hyposalivation is the most obvious symptom of RISGI. Currently, clinical interventions have not achieved the desired efficacy. Inspired by the radioprotective properties of Mn3O4 and PDA nanozymes and the robust bioadhesive properties of PDA hydrogels, we designed a Mn3O4–polydopamine hybrid hydrogel (termed MP hydrogel) capable of alleviating radiation-induced hyposalivation. MP hydrogel effectively scavenges ROS and increases the viability of salivary gland cells under ionizing radiation (IR). As a proof of concept, we applied MP hydrogel to the submandibular glands (SMGs) of male Sprague–Dawley (SD) rats, one of the three major salivary glands of rats. We demonstrated that MP hydrogel effectively mitigated radiation-triggered hyposalivation after in situ gelation in rats.
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(This article belongs to the Section Chemistry at the Nanoscale)
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A Second Job for Electron Upconversion: Single-Electron Activation of Leaving-Group Departure
by
Igor V. Alabugin, Kimberley M. Christopher, Paul Eckhardt, Farzaneh Gholamhosseinzadeh and Till Opatz
Chemistry 2026, 8(8), 114; https://doi.org/10.3390/chemistry8080114 - 21 Aug 2026
Abstract
Electron upconversion, the promotion of a single electron into a higher-energy orbital as the direct consequence of an exergonic chemical step, has been studied mainly as a way to generate transient “super-reductants” that hand off a high-energy electron to an external acceptor. Here,
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Electron upconversion, the promotion of a single electron into a higher-energy orbital as the direct consequence of an exergonic chemical step, has been studied mainly as a way to generate transient “super-reductants” that hand off a high-energy electron to an external acceptor. Here, we explore a different application of this phenomenon. Using density functional theory calculations in combination with a survey of enzyme-catalyzed processes, we show that the same upconverted radical anions can act intramolecularly to expel otherwise recalcitrant leaving groups, accomplishing transformations that are formally two-electron, heterolytic eliminations. Taking redox dehydratases as the starting inspiration, we compare the energetics of hydroxide elimination from a ketyl radical anion against the classical, stereoelectronically favorable enolate route. Elimination through the upconverted ketyl is thermodynamically preferred by ~10 kcal/mol, and although this preference diminishes, it does not disappear even for a remote, non-activated γ-hydroxyl group. The orbital picture is simple: occupation of a high-energy antibonding orbital is relieved when electron density flows into the σ* orbital of the scissile bond, so that bond cleavage demotes the electron into a lower-energy, non-bonding orbital. Thus, upconversion is not only a route to strong reductants; it is a general activation mode for bond cleavage. The same logic applies to the C–O, C–N, and C–S eliminations carried out by diol dehydratases, 4-hydroxybutyryl-CoA dehydratase, certain glycyl radical enzymes, and ribonucleotide reductase under mild, metal-sparing, anaerobic conditions, and it suggests design principles for synthetic eliminations that avoid strong acids, strong bases, and pre-activated substrates.
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(This article belongs to the Section Theoretical and Computational Chemistry)
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Open AccessArticle
Ternary CBe4S32−/− Clusters: Fan-Shaped Global Minima with Planar Tetracoordinate Carbon
by
Ting Zhang, Ya-Xuan Cheng, Mesías Orozco-Ic and Jin-Chang Guo
Chemistry 2026, 8(8), 113; https://doi.org/10.3390/chemistry8080113 - 20 Aug 2026
Abstract
“Altering the auxiliary atoms” is an effective approach for expanding the planar tetracoordinate carbon (ptC) family. The ternary CBe4S32− cluster has been designed by using the “isoelectronic replacement of auxiliary bridges” strategy, based on previously reported ptC CBe4
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“Altering the auxiliary atoms” is an effective approach for expanding the planar tetracoordinate carbon (ptC) family. The ternary CBe4S32− cluster has been designed by using the “isoelectronic replacement of auxiliary bridges” strategy, based on previously reported ptC CBe4Cl3+. It possesses a fan-shaped structure, containing one ptC center, an arc-shaped Be4 ligand chain, and three auxiliary S bridges. The extensive search and high-level quantum chemistry calculations indicate that both ptC CBe4S32− and its derivative CBe4S3− are global minima structures on their potential energy surfaces. Born–Oppenheimer molecular dynamics simulations suggest that they also possess good dynamical stability. Chemical bonding analyses indicate that the ptC center in CBe4S32− is stabilized by one delocalized π bond and three delocalized σ bonds within the CBe4 core, while magnetically induced current density analysis reveals localized diatropic circulations without exhibiting a ring current. The current contribution introduces two new members to the ptC family, expanding the ptC bonding modes and design strategies.
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(This article belongs to the Topic Aromatic Inorganic and Metallic Compounds II)
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Open AccessArticle
Synthesis and Characterisation of LTA Zeolite from Angren Kaolin: Evaluation of a Regional Feedstock for Zeolite Production
by
Abdurahim Abdulkhayev, Oybek Ergashev, Barnokhon Toshmatova and Mirzohid Koriyev
Chemistry 2026, 8(8), 112; https://doi.org/10.3390/chemistry8080112 - 17 Aug 2026
Abstract
Linde Type A (LTA) zeolite was synthesised from purified Angren kaolin (Uzbekistan) by a metakaolin route. Raw kaolin was beneficiated by dispersion–decantation to reduce iron, calcined at 700 °C, and crystallised in NaOH solution at 100 °C. Products were characterised by powder X-ray
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Linde Type A (LTA) zeolite was synthesised from purified Angren kaolin (Uzbekistan) by a metakaolin route. Raw kaolin was beneficiated by dispersion–decantation to reduce iron, calcined at 700 °C, and crystallised in NaOH solution at 100 °C. Products were characterised by powder X-ray diffraction (PXRD), X-ray fluorescence (XRF), Raman spectroscopy, N2 physisorption and thermal analysis (TGA/DTA). PXRD confirmed crystalline LTA as the major phase (cubic lattice parameter a = 24.68 ± 0.02 Å), with residual quartz from the precursor. XRF gave a near-ideal bulk composition (Si/Al = 1.07, Na/Al = 0.98), confirming sodium incorporation, and Raman corroborated minor quartz and anatase impurities. The very low N2 uptake at −196 °C reflects the restricted access of the 4 Å LTA windows rather than an absence of microporosity. Thermogravimetric analysis showed a ~13 wt% loss of zeolitic water below 300 °C, consistent with substantial hydration of the LTA framework. Locally sourced Angren kaolin can thus be converted into crystalline LTA, establishing a viable regional feedstock for a framework whose potential for molecular-sieve and ion-exchange applications remains to be evaluated by dedicated adsorption measurements.
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(This article belongs to the Section Chemistry of Materials)
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Open AccessSystematic Review
Chemical Forensics in Death Investigations: A Comprehensive Review of Stable Isotopes as Postmortem Biomarkers for Food Contamination Tracking
by
Thokozani P. Mbonane
Chemistry 2026, 8(8), 111; https://doi.org/10.3390/chemistry8080111 - 13 Aug 2026
Abstract
Lethal foodborne illness outbreaks represent a critical intersection of public health surveillance, environmental health, and forensic toxicology. When acute gastrointestinal syndromes lead to sudden death, traditional postmortem investigation techniques are often hindered by tissue autolysis and the overgrowth of putrefactive microflora, which complicate
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Lethal foodborne illness outbreaks represent a critical intersection of public health surveillance, environmental health, and forensic toxicology. When acute gastrointestinal syndromes lead to sudden death, traditional postmortem investigation techniques are often hindered by tissue autolysis and the overgrowth of putrefactive microflora, which complicate conventional microbiological assays. This review establishes a comprehensive framework for chemical forensics by evaluating the utility of stable isotope analysis (SIA) as a supportive, probabilistic chemical proxy to complement traditional epidemiological investigations of postmortem food contamination sources. Following JBI scoping review guidelines and the PRISMA-ScR reporting framework, data from 42 peer-reviewed articles (2000–2026) were charted and synthesized to map natural isotopic variations (δ13C, δ15N, δ18O, δ2H and δ34S) across both forensic decedents and environmental reservoirs. The findings outline a structured, multi-tissue diagnostic cascade governed by biological metabolic turnover rates: unabsorbed gastric chyme provides a direct chemical match to contaminated source food items within a hyper-acute 0–6 h window; high-turnover visceral matrices (liver, blood plasma) shift to reflect acute exposure profiles within 1–7 days; and continuously fixed keratinized matrices (hair, nails) archive multi-month dietary and transcontinental transit histories. Furthermore, compound-specific isotope analysis (CSIA) of individual amino acids offers unprecedented structural resolution, utilizing the carbon discrimination metric (Δ13Cglu-phe) to differentiate pristine agricultural signatures from endogenous metabolic distortions while biochemically verifying pre-mortem physiological stress and hyper-catabolic muscle wasting. Taphonomic thresholds were explicitly defined, establishing that bulk visceral soft tissues remain isotopically stable (±0.3‰) for up to 48 h at room temperature (~21 °C) before microbially induced nitrogen enrichment (δ15N > +2.8‰) alters native profiles, whereas hair and nail keratin maintain absolute isotopic stability for over 180 days postmortem. When pristine multi-isotope signatures are coupled with mandatory chloroform–methanol lipid extraction and processed through spatial Bayesian assignment models, geographic provenance tracking via environmental isoscapes achieves a predictive accuracy of 97%. This review introduces a standardized environmental health protocol designed to harmonize field environmental sampling with medical autopsies. This protocol provides a legally robust strategy for investigating unresolved lethal foodborne illness case-outbreaks, particularly those involving pediatric mortalities linked to the consumption of counterfeit or fraudulent food products in low- and middle-income countries. Furthermore, it aims to strengthen national and municipal legal frameworks and international biosecurity enforcement.
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(This article belongs to the Topic Safety, Quality, and Processing of Foods: Chemical, Analytical, and Technological Approaches)
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Open AccessArticle
NEXAFS and XPS and Structural, Electrical and Thermal Properties of Zn and Ni Codoped Bismuth Antimonate Pyrochlore
by
Sergey V. Nekipelov, Maria G. Krzhizhanovskaya, Alexandra V. Koroleva, Nikolay A. Sekushin, Vladimir A. Belyy, Olga V. Petrova and Nadezhda A. Zhuk
Chemistry 2026, 8(8), 110; https://doi.org/10.3390/chemistry8080110 - 10 Aug 2026
Cited by 1
Abstract
The crystal structure and physicochemical properties of a new Ni/Zn codoped bismuth antimonite pyrochlore, synthesized by the solid-phase reaction method, were investigated. The most optimal outcomes of Rietveld refinement for Bi2.7Zn0.46Ni0.70Sb2O10+Δ were achieved for
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The crystal structure and physicochemical properties of a new Ni/Zn codoped bismuth antimonite pyrochlore, synthesized by the solid-phase reaction method, were investigated. The most optimal outcomes of Rietveld refinement for Bi2.7Zn0.46Ni0.70Sb2O10+Δ were achieved for the model of a disordered pyrochlore structure (sp.gr.Fd-3m:2, a = 10.46442(5) Å). Zinc and nickel atoms demonstrate an inhomogeneous mixed distribution across bismuth and antimony positions. The microstructure of the ceramic is characterized by low porosity, and is formed by faceted grains of 0.25–2 μm in diameter. The thermal expansion coefficient (TEC) increases monotonically from 7.14 × 10−6 °C−1 (30 °C) to 9.80 × 10−6 °C−1 (990 °C). At temperatures above 1080 °C, an atypical thermal dissociation of the pyrochlore occurs, resulting in the formation of bismuth-free compounds and two cubic phases that are stable when the sample is cooled. The Bi2.7Zn0.46Ni0.70Sb2O10+Δ compound is characterized by a band gap width of 2.4 eV. At temperatures below 200 °C, the sample exhibits predominantly capacitive impedance characteristics. The capacitance remains constant and independent of temperature and frequency up to a maximum of 150 °C. The high-frequency relative dielectric permittivity is low and equal to 26(3). The conduction activation energy in the sample is found to be 1.30(5) eV. Two polarization processes are detected in the sample. The electrical behavior of the sample has been modeled successfully by equivalent circuits within the temperature range of 200–450 °C. According to NEXAFS and XPS data, metal cations exhibit a conventional charge state, with an antimony oxidation state of +(5−δ).
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(This article belongs to the Section Inorganic and Solid State Chemistry)
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