jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Safa Faris Kayed
Source: Arabian Journal of Chemistry (article, 2026-02-23)
Field: Chemistry — Inorganic Chemistry

Enhanced photocatalytic degradation of metronidazole using novel Cu(II) gallic acid mixed ligand complexes with diverse co-ligands Pharmaceutical contaminants such as metronidazole (MNZ) represent a significant risk to aquatic environments due to their high water solubility, toxicity, and resistance to biodegradation. In this study, a novel series of Cu(II) based mixed ligand complexes incorporating gallic acid (GAH) with co-ligands; 8-hydroxyquinoline (8HQ), pyridine (Py), and anthranilic acid (AAH) were synthesized and characterized using Fourier transform infrared (FT-IR), UV-Vis spectroscopy, magnetic moment analysis, molar conductivity, powder X-ray diffraction (PXRD), and thermogravimetric analysis/derivative thermogravimetry (TGA/DTG). The novelty of these complexes lies in the strategic integration of GAH with co-ligands of different donor types (N,O–, N–, and N,O–functionalities), creating unprecedented coordination environments around Cu(II) that enable systematic modulation of electronic and photocatalytic properties. The complexes were discovered to be crystalline, thermally stable, and non-electrolytic, with distorted tetrahedral or octahedral geometries. Their photocatalytic performance was evaluated by the degradation of MNZ in aqueous media under UV light. Parameters such as irradiation period, pH, initial MNZ concentration, catalyst dosage, and H₂O₂ addition were investigated. Among the synthesized catalysts, the mixed ligand complexes showed superior photocatalytic activity compared to the binary [Cu(GA)₂].1.5H 2 O complex, attaining degradation efficiencies up to 93.24%. The enhanced activity was attributed to improved structural features, efficient charge separation and favorable redox behavior. The photocatalytic process followed pseudo-first-order kinetics, and the catalysts remained stability and reusability during several cycles. This work demonstrates the potential of GAH based mixed ligand complexes as sustainable and effective photocatalysts for the treatment of pharmaceutical wastewater. Photocatalysis ; Ligand (biochemistry) ; Thermogravimetric analysis ; Catalysis ; Pyridine ; Gallic acid ; Anthranilic acid ; Thermogravimetry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Copper-based nanomaterials and applications
Authors: Mingqiu Lu | Yu Huang | Meilin Jiang | Huimin Zhu | Ling Liu | Jing Zhao
Source: Arabian Journal of Chemistry (article, 2026-03-11)
Field: Materials Science — Materials Chemistry

Application of polyaspartic acid-based porous carbon loaded with bimetals Cu and Ni in hydrogen adsorption This study investigated the effect of simultaneous loading of bimetals nickel and copper on the hydrogen adsorption performance of polyaspartic acid (PASP)-based porous carbon materials. Four groups of materials with different metal ratios, namely PASP-based porous carbon loaded with bimetals copper and nickel, were prepared. A two-step calcination process was adopted. First, PASP-based porous carbon was prepared, and then the bimetal solution was impregnated, followed by a second calcination. Through characterizations and analyses using Fourier transform infrared (FTIR), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), transmission electron microscopy (TEM), energy-dispersive spectroscopy (EDS), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS), it was confirmed that copper and nickel were successfully loaded and uniformly dispersed on the PASP-based porous carbon, mainly functioning in the elemental form. The results of the hydrogen adsorption test showed that C-PASP-Ni6/Cu4 had the best adsorption effect, with a maximum hydrogen adsorption capacity of up to 240.87 cm 3 g -1 . Loading the bimetals copper and nickel can also significantly enhance the hydrogen storage capacity. Moreover, due to the relatively low price of copper, the cost is reduced while improving the performance. Nickel ; Adsorption ; Copper ; Hydrogen ; Scanning electron microscope ; Calcination ; Carbon fibers ; Porosity Hydrogen Storage and Materials ; Layered Double Hydroxides Synthesis and Applications ; Catalysts for Methane Reforming
Authors: Na Xiao | Yaqiong Wang | Kang Yang | Zhengjun Wang | Dian Zhao | Yulong Shi | Jufeng Qiao | Fang Qian
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Cutting-edge advancements in the synthesis, chemical structure, and applications of the lithium batteries and supercapacitors of metal–/covalent–organic frameworks Metal organic frameworks (MOFs) and covalent organic frameworks (COFs) are novel classes of advanced porous materials with high crystallinity, which have garnered significant research attention due to their distinctive structures and properties. However, the insufficient structural stability and poor conductivity are the major bottlenecks restricting their widespread application in new energy storage and conversion devices. A large number of studies have shown that by selecting appropriate synthesis methods and making targeted improvements, the crystal structure, pore characteristics and interface interactions of MOFs/COFs can be precisely controlled, thereby enhancing the bonding strength of covalent/coordination bonds, reducing the resistance of charge transfer, and improving their structural stability and conductivity. This paper describes the progress in MOF/COF research from the aspects of synthesis and chemical structure, summarizes the latest achievements, and presents their milestone applications in lithium-ion batteries and supercapacitors. Finally, it discusses the challenges and future prospects of developing high-performance MOF/COF energy storage materials. Supercapacitor ; Lithium (medication) ; Cover (algebra) ; Lithium metal ; Nanoarchitectures for lithium-ion batteries Covalent Organic Framework Applications ; Supercapacitor Materials and Fabrication ; Synthesis and Properties of Aromatic Compounds
Authors: Nao Susaki | Tatsushi Saito | Tatsuya Yokoi | Yu Ogura | Katsuyuki Matsunaga
Source: Journal of the American Ceramic Society (article, 2026-04-01)
Field: Materials Science — Materials Chemistry

DFT Approaches Unraveling Atomic Structures and Incorporation Selectivity of Dicarboxylic Acids in Octacalcium Phosphate ABSTRACT Octacalcium phosphate (OCP) containing organic molecules like dicarboxylic acids is promising because its properties are expected to be designed by the incorporated molecules. From the first discovery of succinate‐ion–incorporated OCP, a number of OCP systems incorporating dicarboxylate ions were reported, and incorporation selectivity depending on the methylene‐group numbers of the dicarboxylate ions was found. However, not only the origin of the selectivity but also even their detailed atomic structures were poorly clarified. For this purpose, DFT calculations were performed for a series of dicarboxylate‐ion–incorporated OCP systems. A data‐driven type optimization method was employed and combined with DFT to explore low‐energy atomic structures of OCP with different dicarboxylate ions. It is found that calculated d 100 values of the most stable atomic structures are in excellent agreement with experiment, demonstrating the linear correlation with methylene‐group numbers of the dicarboxylate ions. Calculated formation energies of the systems show an odd‐even effect on their incorporation stability against the methylene‐group numbers, which is also in reasonable agreement with experiment. Such a trend in formation energy can be explained in terms of local atomic coordinations between Ca ions and carboxy groups of the dicarboxylate ions. These results prove the effectiveness of our computational strategy for such complicated organic and inorganic composite systems. Selectivity ; Octacalcium phosphate ; Ion ; Molecule ; Density functional theory ; Phosphate ; Phosphate buffered saline ; Dicarboxylic acid X-ray Diffraction in Crystallography ; Chemical Synthesis and Characterization ; Advancements in Battery Materials
Authors: Ahmed Aboualy
Source: Zenodo (CERN European Organization for Nuclear Research) (preprint, 2026-03-13)
Field: Chemistry — Inorganic Chemistry

Row-Dependent V-Shaped Trends in Homonuclear Diatomic Bond Lengths from Alkali to Noble Gas Dimers We present a statistically rigorous examination of experimental equilibrium bond lengths for homonuclear diatomic molecules across the periodic table, using data from the NIST CCCBDB and supplementary spectroscopic sources. For Row 2 (Li₂ through F₂), the bond lengths form a V‑shaped pattern: decreasing from the alkali metal to a minimum at nitrogen (1.098 Å), then increasing toward fluorine. A permutation test confirms this pattern is highly unlikely to arise by chance (p = 0.012). Bootstrap resampling places the minimum between Z = 6.6 and 10.4 (95% CI), consistent with nitrogen. Leave‑one‑out analysis shows the V‑shape persists after removal of any single data point (all p < 0.05). The deviation of beryllium from a smooth trend is not statistically significant (95% CI for residual includes zero). For Row 3 (Na₂, P₂, S₂, Cl₂), the available data are qualitatively consistent with a V‑shape, but the small sample (N = 4) precludes statistical confirmation (permutation p = 0.167). Rows 4–6 contain only fragments; they neither confirm nor falsify the pattern. Noble gas dimers are categorically distinct (van der Waals bonds) and mark the end of each covalent series. The observed hierarchy is compatible with the descriptive language of the Dynamic Equilibrium Principle, but no universal constants are claimed. The work provides a reproducible, data‑driven description of periodic trends in diatomic bonding. Homonuclear molecule ; Noble gas ; Bond length ; Diatomic molecule ; Covalent bond ; Bond order ; Dimer ; Row Inorganic Fluorides and Related Compounds ; Advanced Chemical Physics Studies ; History and advancements in chemistry
Authors: Rutvi Mistry | Snehangshu Paine | Prerna Vinchhi | Mukesh Khandla | Nikita Thakkar | Abhijit Ray | K. Mukherjee | Ranjan K. Pati
Source: Scientific Reports (article, 2026-01-06)
Field: Materials Science — Materials Chemistry

Doping induced enhancement for acetone sensing in ceria Ceria is a wide bandgap semiconductor oxide, however, by introducing oxygen vacancies (V<sub>o</sub>), the electronic structure of ceria can be precisely tuned, resulting in a narrowed band gap and improved charge transport. Doping with lower-valent cations introduces V<sub>o</sub> to maintain charge neutrality, thereby imparting robust chemiresistive and semiconducting properties. These vacancies act as active sites for analyte adsorption and are crucial for enhancing sensing performance. In this study, samaria-doped ceria was synthesized using a modified co-precipitation method. Structural analysis such as XRD, Raman spectroscopy, and HR-TEM confirm the formation of cubic fluorite-type structure in all samples. PL and UV-Vis spectroscopy show the enhanced defect levels with increase in Sm doping. XPS validated the presence of Vₒ and the oxidation states of Ce<sup>4+</sup> and Sm<sup>3+</sup>. I-V characterization confirmed the ohmic conductance behaviour, while chemiresistive measurements show selectivity and sensitivity towards acetone. Additionally, kinetic parameters were extracted via Langmuir-Hinshelwood modeling, confirms the importance of oxygen vacancies in acetone sensing. Additionally, DFT based calculation shows that Sm-doping in ceria modulates its electronic structure by Fermi level shifting towards conduction band causing substantial availability of electrons inducing the formation of V<sub>o</sub>. Doping ; X-ray photoelectron spectroscopy ; Raman spectroscopy ; Band gap ; Fermi level ; Ohmic contact ; Electronic structure ; Conductance ; Semiconductor Catalytic Processes in Materials Science ; Gas Sensing Nanomaterials and Sensors ; Advancements in Solid Oxide Fuel Cells
Authors: T. Alharby | Thaar M.D. Alharbi
Source: Arabian Journal of Chemistry (article, 2026-01-21)
Field: Materials Science — Materials Chemistry

Ultrasound sonication-mediated fabrication of thin molybdenum disulfide nanosheets from their bulk The exfoliation of bulk MoS 2 into very thin sheets with a 2D structure holds promise across various fields. In this study, we present a simple and cost-effective method for producing MoS₂ nanosheets in large quantities using ultrasound probe sonication (20 kHz) in dimethylformamide (DMF) for 60 min. This approach is straightforward, scalable, and avoids the use of auxiliary substances, achieving a high yield of 90% for MoS₂ nanosheets. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analyses confirm that the resulting nanosheets are thin, with a lateral size distribution of approximately 150 nm and a thickness of ∼ 2.5 nm. Further characterization of the fabricated MoS₂ nanosheets was conducted using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and Raman spectroscopy. Exfoliation joint ; Raman spectroscopy ; Molybdenum disulfide ; Sonication ; Transmission electron microscopy ; Scanning electron microscope ; Fabrication ; X-ray photoelectron spectroscopy 2D Materials and Applications ; Catalysis and Hydrodesulfurization Studies ; Transition Metal Oxide Nanomaterials
Authors: Afnan Almalki | Seham S. Alterary | Maha Farouq El-Tohamy | Sayed M. Saleh
Source: JOURNAL of QASSIM UNIVERSITY FOR SCIENCE (article, 2026-03-28)
Field: Materials Science — Materials Chemistry

Green Synthesis of Metal Oxide Nanoparticles Using Plant Extracts for Removal of Berberine Hydrochloride from Wastewater: A Comprehensive Review Water pollution caused by pharmaceutical residues, particularly berberine hydrochloride (BRB), has emerged as a significant environmental challenge in recent decades. Conventional wastewater treatment plants are not specifically designed to remove complex organic micropollutants, such as pharmaceuticals, so these compounds persist in aquatic ecosystems and can cause ecotoxicological effects. Advanced oxidation processes and photocatalytic degradation using metal oxide nanoparticles (NPs) have shown remarkable promise for addressing this pollution. Among these, titanium dioxide (TiO₂) NPs synthesized via green chemistry approaches using plant extracts represent a sustainable, environmentally friendly solution. This comprehensive review examines the properties, synthesis methods, and photocatalytic mechanisms of TiO₂ NPs for BRB degradation. We discuss the factors influencing catalytic efficiency, including surface area, crystalline structure, particle size, and operating conditions such as pH, temperature, and light irradiation. Furthermore, this review highlights the potential of plant-mediated synthesis using local flora such as Scirpoides holoschoenus , a sedge native to Saudi Arabia, as an innovative and sustainable approach to nanomaterial fabrication. The integration of green chemistry principles with nanotechnology offers promising opportunities to develop cost-effective, non-toxic, and environmentally sustainable solutions for removing pharmaceutical pollutants in wastewater treatment systems. Photocatalysis ; Green chemistry ; Wastewater ; Sewage treatment ; Environmentally friendly ; Nanomaterials ; Nanoparticle ; Pollutant Nanoparticles: synthesis and applications ; Berberine and alkaloids research ; Nanomaterials for catalytic reactions
Authors: Guene L. Razack | Jie Ding | Xian Zhao | Ya-Ni Zang | C. S. Cui | Wen-Shuo Wang | Ji-Wei Pang | Lu-Yan Zhang | Worou Chabi Noel | Assogba Dou Rached | Nan-Qi Ren | Shuhui Yang
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Design of a 3D nanowire-CuO/LDH@FeNi-γAl <sub>2</sub> O <sub>3</sub> catalyst and its synergistic mechanism for accelerated dye degradation in wastewater Three-dimensional (3D) particle electrode oxidation technology is an effective advanced oxidation technology for degrading organic pollutants. In this study, a series of γAl<sub>2</sub>O<sub>3</sub>-supported FeNiCu-layered double hydroxide/CuO composite catalysts (γAl<sub>3</sub>O<sub>3</sub> × FNCL@CuO) were synthesized, with the aim of optimizing the electrode preparation process and enhancing the electrocatalytic degradation efficiency for organic dye wastewater. Although γAl<sub>2</sub>O<sub>3</sub> itself exhibits relatively low electronic activity, it serves as an effective catalytic support with notable performance-promoting properties, thus representing a valuable subject for investigation. The materials were characterized using X-ray diffraction, scanning electron microscopy, and Fourier-transform infrared spectroscopy. The composite electrode γAl<sub>3</sub>O<sub>3</sub> × FNCL@CuO was compared with a pure γAl<sub>2</sub>O<sub>3</sub> 3D particle electrode in terms of performance. The results demonstrated that the composite electrode significantly outperformed the pure γAl<sub>2</sub>O<sub>3</sub> electrode in pollutant removal and overall electrocatalytic activity. The degradation rates for rhodamine B (RhB), acid yellow (AY), and methylene blue (MB) reached 98.82%, 99.99%, and 98.97%, respectively. Furthermore, comparisons between two-dimensional (2D) and 3D systems revealed that the porous 3D structure facilitates the oxidation process by increasing the contact interface between active sites and reactant molecules. Quenching experiments confirmed that radical scavengers had only a minor inhibitory effect on RhB degradation in the 3D system. In conclusion, γAl<sub>3</sub>O<sub>3</sub> × FNCL@CuO shows promising potential for application in the electrochemical treatment of organic wastewater and merits further research. Rhodamine B ; Electrode ; Degradation (telecommunications) ; Catalysis ; Electrochemistry ; Composite number ; Wastewater ; Methylene blue Layered Double Hydroxides Synthesis and Applications ; Advanced Photocatalysis Techniques ; Nanomaterials for catalytic reactions
Authors: Pijush Kanti Roy | Yutaka Hitomi
Source: Asian Journal of Organic Chemistry (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Recent Advances in the NHPI–PINO Catalytic Cycle: Photochemical, Electrochemical, and Heterogenized NHPI/PINO Catalysis ABSTRACT N‐hydroxyphthalimide (NHPI) has emerged as a versatile organocatalyst for the selective oxidation and functionalization of C(sp 3 )–H bonds via the phthalimide N‐oxyl (PINO) radical. In recent years, the NHPI–PINO platform has advanced significantly, driven by three key developments: photochemical activation, electrochemical transformation, and catalyst immobilization. Visible‐light‐driven systems and semiconductor‐assisted photocatalysis have expanded the reaction scope and enabled sustainable transformations under mild conditions. Electrochemical approaches have provided scalable and energy‐efficient routes for hydrogen atom transfer and radical functionalization, while cooperative electrocatalysis has further enhanced both activity and selectivity. Immobilizing NHPI on porous frameworks and hybrid supports has bridged the gap between homogeneous and heterogeneous catalysis, improving stability, recyclability, and compatibility with continuous‐flow systems. This review summarizes mechanistic insights and key breakthroughs from 2022 onward, highlighting the integration of advanced materials, operando spectroscopy, and computational modeling. Current challenges and future opportunities are also discussed, with a focus on hybrid catalytic platforms and the expansion of applications in synthetic, industrial, and sustainable chemistry. Catalysis ; Electrocatalyst ; Photoredox catalysis ; Homogeneous ; Electrochemistry ; Photocatalysis ; Homogeneous catalysis ; Surface modification Radical Photochemical Reactions ; Oxidative Organic Chemistry Reactions ; Catalytic C–H Functionalization Methods
Authors: Tao Zhu | Fan Zhang | Li Jiang | Siyu Chen | Rui Wang | Jiao Liu | Yumeng Yang | Guoying Wei | Y. Chen
Source: Arabian Journal of Chemistry (article, 2026-01-28)
Field: Materials Science — Materials Chemistry

Efficient protection of sintered NdFeB enabled by incorporation of polyethyleneimine-grafted graphene oxide into silane films Polyethyleneimine modified graphene oxide (PEI-GO) was designed as an additive and subsequently co-deposited with bis-silane on sintered neodymium-iron-boron (NdFeB) magnets to prepare hydrophobic and anti-corrosive PEI-GO/silane composite films via an electrochemically assisted sol-gel method. Structural and compositional characterizations were carried out using fourier transform infrared (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), and Raman spectroscopy. Results confirmed successful grafting of PEI onto GO. Silane coupling agents linked to the PEI-GO additives, as well as the sintered NdFeB substrate, through covalent bonds. The corrosion resistance of the fabricated composite films in a 3.5 wt.% NaCl solution was assessed through electrochemical impedance spectroscopy and potentiodynamic polarization tests. The corrosion current density of PEI-GO/silane film under optimal deposition conditions was 8.365×10 -8 A·cm -2 , which is two orders of magnitude smaller than that of the neat silane film. Enhanced anti-corrosion performance of PEI-GO/silane composite film can be primarily attributed to the grafted PEI, which significantly enhanced the barrier effect of GO by improving its dispersion within the sol-gel system. Meanwhile, the co-deposited PEI-GO remarkably reinforced the structural integrity and compactness of the composite film. Furthermore, the composite coating exhibits outstanding hydrophobicity, with a water contact angle reaching 148.5°, and simultaneously maintains the magnetic properties of the sintered NdFeB magnets without detectable compromise. Graphene ; Silane ; Oxide ; Dielectric spectroscopy ; Contact angle ; Raman spectroscopy ; Composite number ; Neodymium magnet Graphene research and applications ; Corrosion Behavior and Inhibition ; Electromagnetic wave absorption materials
Authors: Subrata Karmakar | G Anil Kumar | K Kumar Angajala | Chetan D. Mistari | M Amrutha | Pallab Kumar Sarkar | Saif Taqy | Brahmananda Chakraborty | M A More | Ariful Haque
Source: PubMed (article, 2026-04-11)
Field: Materials Science — Materials Chemistry

Fertile field emission response in scrambled SmNiO<sub>3</sub> nanopins. Field (mathematics) ; Noise (video) ; Population ; Term (time) Lanthanide and Transition Metal Complexes ; Luminescence Properties of Advanced Materials ; Geochemistry and Elemental Analysis