jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Muidh Alheshibri | Shamsuddeen A. Haladu | Ibraheem Al‐Naib | Q.A. Drmosh | Emre Çevik | Khaled A. Elsayed
Source: Arabian Journal of Chemistry (article, 2025-12-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Facile fabrication of Bi₂O₃/MWCNTs/CAB nanocomposite films via pulsed laser ablation for enhanced electromagnetic shielding With the rapid advancement of flexible electronics and wireless communication technologies, the development of lightweight, high-performance electromagnetic interference (EMI) shielding materials has become critically important. Pulsed laser ablation offers a clean, surfactant-free, and controllable synthesis route for integrating functional nanostructures into polymer matrices for efficient EMI shielding. This study presents a novel approach for fabricating a Bi₂O₃/MWCNTs/CAB flexible polymer via pulsed laser ablation for electromagnetic shielding applications. The developed materials were extensively characterized using different techniques, including X-ray diffraction (XRD), Raman spectroscopy, Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and contact angle measurements. The transmission amplitude and complex conductivity in the terahertz frequency range, along with the shielding effectiveness (SE) in the X-band microwave regime, were systematically evaluated. Compared to pure CAB, which showed resonance SE peaks of ∼3 dB at 9.08 GHz and 11.52 GHz, the CNTs/CAB nanocomposite exhibited broadband SE improvements reaching ∼2.7 dB across the X-band. Interestingly, the addition of Bi₂O₃ led to a more uniform but lower SE (∼0.6 dB), suggesting potential for electromagnetic-induced transparency-tunable applications. Given its facile fabrication process and ultrathin structure, the pulsed laser-fabricated MWCNTs/CAB nanocomposite film demonstrates strong potential for next-generation electromagnetic shielding applications. Electromagnetic shielding ; Nanocomposite ; Fabrication ; Raman spectroscopy ; Terahertz radiation ; Laser ablation ; Laser ; Electromagnetic interference Electromagnetic wave absorption materials ; Polymer Nanocomposite Synthesis and Irradiation ; Laser-Ablation Synthesis of Nanoparticles
Authors: H. C. Jeon | Kyeong Keun Oh | Minkyu Kim
Source: Micromachines (article, 2025-07-26)
Field: Materials Science — Biomaterials

Cellulose Nanocrystals for Advanced Optics and Electronics: Current Status and Future Directions Cellulose nanocrystals (CNCs) have attracted growing interest in optics and electronics, extending beyond their traditional applications. They are considered key materials due to their fast computing, sensing adhesion, and emission of circularly polarized luminescence with high dissymmetry factors. This interest arises from their unique chemical structure, which gives rise to structural color, a chiral nematic phase, and high mechanical strength. In this perspective, we first introduce the definition, sources, and fundamental properties of CNCs to explain the basis for their unique and effective use in optics and electronics. Next, we review recent research on the application of CNCs in these fields. We then analyze the current limitations that hinder further advancement. Finally, we offer our own perspective on future directions for the CNC-enabled advanced optics and electronics. Electronics ; Nanotechnology ; Materials science ; Nanocrystal ; Perspective (graphical) ; Phase (matter) ; Engineering physics ; Computer science ; Physics ; Engineering ; Electrical engineering Advanced Cellulose Research Studies ; Polysaccharides and Plant Cell Walls
Authors: J. V. M. Silva | Iury Thiago Dias Botelho | Manuel Almeida | S. R. B. Ferreira | W. S. Ferreira
Source: Physical Science International Journal (article, 2025-07-29)
Field: Materials Science — Materials Chemistry

Computational Study of Optical Properties of Calcium Tungstate (CaWO4) Based on Density Functional Theory (DFT) This study theoretically investigated the optical properties of calcium tungstate (CaWO₄) in its scheelite phase using first-principles calculations based on Density Functional Theory (DFT), aiming to understand its interaction with electromagnetic radiation and assess its potential for optoelectronic and photonic applications. Conducted at the Department of Physics of the State University of Maranhão (UEMA), Brazil, between January and March 2025, the research employed the CASTEP module of the Materials Studio software to compute spectra for the complex refractive index, reflectivity, absorption coefficient, dielectric function, energy loss function, and optical conductivity, considering light polarization along the (1,0,0) direction and a 3×3×3 k-point mesh. The results revealed strong absorption in the extreme ultraviolet, with distinct features in the reflectivity, absorption, and conductivity spectra; the dielectric function exhibited dispersive behavior, and the energy loss function showed a pronounced peak in the violet region. Additionally, the simulated Raman spectra closely matched experimental data. These findings confirm that DFT-based methods offer a detailed characterization of CaWO₄’s optical response, supporting its potential use in optical and photonic devices. Density functional theory ; Calcium ; Materials science ; Tungstate ; Time-dependent density functional theory ; Computational chemistry ; Chemistry ; Metallurgy Luminescence Properties of Advanced Materials ; Crystal Structures and Properties ; Glass properties and applications
Authors: Kornelia Hyjek | Łukasz Kuterasiński | Witold Piskorz | Przemysław J. Jodłowski
Source: Chemical and Process Engineering New Frontiers (article, 2025-05-19)
Field: Chemistry — Inorganic Chemistry

Synthesis, properties, and prospective medical applications of metal-organic frameworks Researchers strive to develop novel delivery systems for therapeutic substances and new therapies. The aim is to maximize the efficacy of conducted therapy while maintaining controlled drug delivery profiles and minimizing the side effects of therapy. Currently, numerous methods of drug administration are in use. Simultaneously, novel potential drug cargos, such as metal-organic frameworks, quantum dots, carbon nanotubes, or dendrimers, are under vigorous investigation. This paper aims to consider metal-organic frameworks (MOFs), which are composed of metal ions/clusters coordinated to organic linkers forming one-, two-, or three-dimensional materials with unprecedentedly large specific surface areas, high porosity, and a capability of a high degree of modifications. They have many potential applications, and due to their low toxicity, high biocompatibility, and bioavailability, they are considered materials of the “medicine of the future”. This review presents the state-of-the-art concerning the recent progress on the metal-organic frameworks, particularly on synthesis and characterization of MOFs, including their classification and possibilities of their modification. In the present paper, the recent state-of-the-art of biomedical applications, such as innovative cancer therapy, bone regeneration, bioimaging, biosensing, and upgrade delivery system based on MOFs is provided. Furthermore, MOF’s toxicity and forward-looking perspectives have been thoroughly discussed. Metal-organic framework ; Materials science ; Nanotechnology ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications
Authors: Amar G. Deshamukh | Rajashree Borgohain | Harishkumar Madhyastha | Paresh N. Patel
Source: Frontiers in Catalysis (article, 2025-11-17)
Field: Chemistry — Organic Chemistry

Dry fungus-mediated gold bio-nanocomposite synthesis: an efficient green and sustainable heterogeneous catalyst for selective nitro reduction This dry fungus-reinforced nanoparticle synthesis is the first proficient plan of action to replace the use of hazardous chemical, physical, and other bio-methods. Here, we report the synthesis of gold bio-nanocomposites (GBNCs) via immobilization of dry biomass prepared with conventional and lyophilization methods. Under atmospheric conditions, dried Aspergillus trinidadensis VM ST01′ OL587588 functions as a reducing and capping agent in water without any solvent or buffer interference. The use of dried biomass provides additional benefits for the synthesis of GBNCs, such as short synthesis time (24 h; 36 h with wet biomass) without incubation, better shelf life (more than 18 months), improved catalytic activity, intact morphology, etc. The generated GBNCs were characterized by various analytical techniques and were found to have a roughly spherical shape with a mono-dispersed diameter of approximately 25 nm, as determined with high-resolution transmission electron microscopy. The influence of stirring and biomass concentration on the kinetics was also studied for the GBNC fabrication process. Optimized stoichiometric results have shown 3.5 × 10 15 gold atoms per milligram of dried biomass prepared by both methods. The crystalline nature and surface charge of GBNCs were analyzed by powder X-ray diffraction and zeta potential studies, respectively. FT-IR studies have shown the participation of various biomass functional groups in forming GBNCs. The surface morphology of GBNCs was investigated by scanning electron microscopy. A comparative thermal stability of dried biomass and GBNCs was evaluated by thermo-gravimetric analysis, with a large difference in residual mass. Here, GBNCs have been shown to be a truly potent heterogeneous catalyst for the reduction of nitrobenzene in water using sodium borohydride with yields up to 95% isolation. The industrial suitability of GBNCs has been established with their broad operational pH (4–10) and temperature (25 °C–80 °C) ranges, reusability (more than 10 cycles), storage stability (more than 18 months), and successful scale-up investigations (up to 5 gm). Catalysis ; Biomass (ecology) ; Scanning electron microscope ; Thermal stability ; Zeta potential ; Nanoparticle ; Heterogeneous catalysis ; Stoichiometry ; Raw material Nanomaterials for catalytic reactions ; Nanoparticles: synthesis and applications ; Environmental remediation with nanomaterials
Authors: Balázs Álmos Novotny | Sauradeep Majumdar | Andres Ortega‐Guerrero | Kevin Maik Jablonka | Elias Moubarak | Natalia Gasilova | Nency P. Domingues | Raluca‐Ana Kessler | Emad Oveisi | Fatmah Mish Ebrahim | Berend Smit
Source: ACS Materials Au (article, 2025-02-04)
Field: Chemistry — Inorganic Chemistry

Nonuniform Chiralization of Metal–Organic Frameworks Using Imine Chemistry Homochiral metal-organic frameworks (MOFs) are exceptional media for heterogeneous enantiodifferentiation processes. Modifying available achiral structure-bearing MOF scaffolds is a preferred method to extend this class of materials. Reported postsynthetic covalent chiralizations generally lead to uniform, site-specific modifications. The use of chemically versatile modifying agents, like aldehydes, may instead result in the statistical formation of chemically nonuniform anchored products. In addition, the use of such modifying agents gives rise to spatial nonuniformities in the radial direction, due to prohibited diffusion through the MOF bulk. The advantageous grain structure formation plus molecular nonuniformity greatly increase the complexity of such systems. The use of such modifying agents, therefore, necessitates a broader holistic characterization. The present work explores the adaptation of imine chemistry for postsynthetic chiralization. A chiral aldehyde and a chiral ketone are probed on two amine-functionalized MOF substrates-MIL-125 NH<sub>2</sub> and UiO-66 NH<sub>2</sub>. The UiO-66 NH<sub>2</sub> modified with the natural product-derived (<i>R</i>)-2,2-dimethyl-1,3-dioxolane-4-carboxaldehyde ((<i>R</i>)-<b>1</b> aldehyde) is found to have the best performance in terms of reactivity and MOF stability. A comprehensive toolbox of methods was demonstrated to robustly characterize the obtained material. This includes high-resolution accurate mass electrospray ionization mass spectrometry (HRAM-ESI-MS) to reveal the competing reactions that yield a set of oligomer-rich structures. <i>In silico</i> modeling correctly predicts the localization of the modification. The modification is found to be covalent and chiral and mainly proceeds through imine formation, resulting in a surface enantioselector display formation. Restricted diffusion lengths in the solid phase infer good retention of resolving power in ascending van Deemter régimes in chromatography. Meeting this criterion makes the yielding material a promising potential stationary phase candidate for performant chromatographic enantioseparations. Imine ; Chemistry ; Metal ; Environmental chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Crystallography and molecular interactions ; Molecular Sensors and Ion Detection
Authors: Yujun Cao | Sikandar Aftab | Zeeshan Ali | Muhammad Farooq Khan | Ghazanfar Nazir | Awais Khalid | Hosameldin Helmy Hegazy | I.S. Yahia | Altaf Hussain Rajpar | Burragoni Sravanthi Goud | Jae Hong Kim | Erdi Akman | Xin Li
Source: Energy & environment materials (article, 2025-10-23)
Field: Materials Science — Materials Chemistry

Two‐Dimensional Piezoelectric Nanomaterials for Nanoelectronics and Energy Harvesting Smart materials, especially piezoelectric materials, have gained popularity over the last two decades. Two‐dimensional (2D) piezoelectric materials exhibit attributes including great flexibility, ease of workability, extensive surface area, and many active sites, indicating significant potential for future practical applications. However, 2D materials have bottlenecks such as poor stability against high‐impact forces and unsatisfactory manufacturing techniques. This review examines cutting‐edge research advancements on 2D piezoelectric materials and their applications in new‐generation devices. First, the current review discusses the structure and working mechanism, synthesis methods, and characterization techniques of 2D piezoelectric materials. Then, a thorough review of the piezocatalysis technique is provided, analyzing the applications of 2D piezoelectric materials in various applications, including nanogenerators, nanosensors, field‐effect transistors, photodetectors, and solar cells. In conclusion, the main obstacles and opportunities of 2D piezoelectric materials and their applications in the future are examined. We believe that this comprehensive review will make significant contributions to the qualitative and quantitative research of the production of commercial advanced functional devices and their large‐scale integrated applications. Piezoelectricity ; Energy harvesting ; Nanoelectronics ; Characterization (materials science) ; Nanogenerator 2D Materials and Applications ; Perovskite Materials and Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Hilda Elizabeth Reynel‐Ávila | Eduardo Ledea-Figueredo | Lizbeth Liliana Díaz-Muñoz | Adrián Bonilla‐Petriciolet | Ismael Alejandro Aguayo‐Villarreal | Laura Gabriela Elvir-Padilla | Carlos J. Durán‐Valle
Source: Molecules (article, 2025-08-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Separation of the Biofuel Methyl Ethyl Ketone from Aqueous Solutions Using Avocado-Based Activated Carbons: Synthesis Conditions and Multilayer Adsorption Properties This study reports the separation of methyl ethyl ketone (MEK), a relevant compound in the biorefinery context, from aqueous solutions using activated carbons derived from avocado seed biomass. Two synthesis routes were explored via chemical and thermal activation with H<sub>2</sub>SO<sub>4</sub> and KOH. A Taguchi experimental design was applied to tailor synthesis conditions, with MEK adsorption capacity as the target property. Adsorption kinetics and isotherms were evaluated to determine the thermodynamic behavior of MEK separation using the best-performing activated carbons. The carbon activated with H<sub>2</sub>SO<sub>4</sub> achieved the highest adsorption capacity (142 mg g<sup>-1</sup>) at 20 °C and pH 4, surpassing KOH-based materials. This enhanced performance correlated to increased surface area and acidic oxygenated functionalities. However, higher pH and temperature reduced the adsorption efficiency for all adsorbents. Comprehensive characterization was performed using XRD, XRF, FTIR, SEM, N<sub>2</sub> adsorption-desorption isotherms, pH at point of zero charge, and surface acidity/basicity analysis via Boehm titration. Thermodynamic data and surface characterization indicated that MEK adsorption occurs via a double-layer mechanism dominated by electrostatic interactions and hydrogen bonding. The findings highlight an optimized approach for tailoring avocado-based activated carbons to efficiently recover MEK from aqueous media, supporting its potential application in downstream purification of fermentation broths for biofuel production and energy transition processes. Adsorption ; Activated carbon ; Point of zero charge ; Chemistry ; Aqueous solution ; Desorption ; Titration ; Activated alumina ; Chemical engineering ; Organic chemistry Supercapacitor Materials and Fabrication ; Catalysis for Biomass Conversion ; Biofuel production and bioconversion
Authors: Tianyi Liu | Jiaqi Wang | Xiao Du | Zhaohui Li
Source: Photocatalysis (article, 2025-11-19)
Field: Chemistry — Organic Chemistry

Efficient Light Initiated One-Pot Synthesis of Benzimidazoles over PtS/ZnIn2S4 Promoted by RGO PtS/RGO/ZnIn2S4 nanocomposites, fabricated via a rapid microwave-assisted process followed by photoreduction, were found to be an efficient multifunctional catalyst for the visible-light-driven one-pot synthesis of benzimidazoles from o-phenylenediamines and alcohols. By modulating the composition of the photocatalytic system to affect its adsorption toward the substrates and the intermediates, an optimum performance with 91.4% of 2-phenylbenzimidazole was obtained over irradiated 2.0 wt% PtS/1.0 wt% RGO/ZnIn2S4. It was revealed that the superior performance over 2.0 wt% PtS/1.0 wt% RGO/ZnIn2S4 arises from RGO, which enhances the adsorption toward benzaldehyde, the intermediate, as well as from the PtS, which promotes both alcohol dehydrogenation and intermediates condensation, to enable an efficient one-pot benzimidazole synthesis under visible light. This study reveals that in addition to the required different catalytic sites required, an efficient one-pot tandem/cascade reaction also necessitates to regulate the reaction rate of the individual reaction step, accomplished through tuning of the composition of the catalyst. This work also highlights the considerable potential of metal sulfide-based multifunctional catalysts for light-initiated one-pot tandem/cascade reactions. Catalysis ; Photocatalysis ; Dehydrogenation ; Adsorption ; Benzimidazole ; Reaction conditions ; Alcohol Nanomaterials for catalytic reactions ; Sulfur-Based Synthesis Techniques ; Multicomponent Synthesis of Heterocycles
Authors: Josipa Sarjanović | Marta Razum | Béla Fiser | Luka Pavić | Jana Pisk
Source: Journal of Materials Chemistry C (article, 2025-12-02)
Field: Chemistry — Inorganic Chemistry

Exploring the gas-sensing properties at room-temperature and electrical behavior of oxalyldihydrazide-derived molybdenum complexes Oxalyldihydrazide-based Mo complexes enable RT alcohol and water sensing, with a six-order MeOH conductivity gain and a 40 s/230 s response–recovery time. Molybdenum ; Electrical resistivity and conductivity ; Conductivity ; Alcohol Metal-Organic Frameworks: Synthesis and Applications ; Organic and Molecular Conductors Research ; Perovskite Materials and Applications
Authors: Jake D. Cao | Yumeng Wu | Jinlong Ge | Q Yang | Zhenyu Chen
Source: Frontiers in Chemistry (article, 2025-09-22)
Field: Chemistry — Inorganic Chemistry

Corrosion inhibition mechanisms of metal-organic frameworks in ammonia-rich environments A range of metal-organic framework (MOF)-based composite materials were synthesized and assessed for their corrosion inhibition properties in ammonia-containing aqueous environments. The interaction mechanisms of these materials with copper surfaces were systematically investigated using electrochemical techniques and surface characterization methods. Based on these analyses, a comprehensive mechanistic model was developed to explain the interplay of the observed factors. The results demonstrated that the corrosion inhibition performance of zeolitic imidazolate frameworks (ZIFs), a representative class of MOFs, is significantly influenced by the surrounding environment. Specifically, experimental analysis revealed a competitive interaction between NH<sub>3</sub> and the ZIF ligand in complex reactions, leading to structural instability of the ZIFs. This instability compromises the protective layer formed on the copper surface, resulting in a reduction of up to 60% in corrosion inhibition efficiency and, consequently, insufficient long-term durability. Corrosion ; Copper ; Zeolitic imidazolate framework ; Electrochemistry ; Aqueous solution ; Metal ; Instability Metal-Organic Frameworks: Synthesis and Applications ; Corrosion Behavior and Inhibition ; X-ray Diffraction in Crystallography
Authors: Ndiouga Fall | Amar Diop | Thierno Moussa Seck | Ibrahima Elhadji Thiam | Ousmane Diouf | Javier Ellena | Mohamed Gaye
Source: International Research Journal of Pure and Applied Chemistry (article, 2025-04-11)
Field: Chemistry — Organic Chemistry

Synthesis and Structural Elucidation of a Novel Hetero-Dodecametallic Yttrium-Sodium Complex Based on EDTA: Insights into f/s-Block Coordination Chemistry Heterometallic f/s-block complexes are not plentiful but play pivotal roles in understanding metal synergy in materials science and catalysis. Reaction of Y(NO3)3.6H2O with EDTANa2.2H2O (ethylenediaminetetraacetic acid, disodium salt dihydrate) gives the dodecanuclear {Y4Na8(L)4(OH)2(NO3)2(H2O)16} (1). Complex (1) is characterized by elemental analyses, IR and conductance measurement. The structure of (1) was elucidated by X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/c with the following parameters: a = 24.81289 (15) Å, b = 15.63590 (8) Å, c = 19.68764 (14) Å, = 106.6623 (7)°, V = 7317.53 (8) Å3, Z= 4, R1 = 0.041, wR2 = 0.117. The asymmetric unit of the compound contains four tetradeprotonated (L4-) EDTA molecules, four octacoordinated yttrium ions, three pentacoordinated sodium ions, five hexacoordinated sodium ions, two chelating nitrate groups, two hydroxy groups acting in \(\mu\)2-mode, seven coordinated water molecules acting in \(\eta\)1-mode and nine coordinated water molecules acting in \(\mu\)2-mode. Each of the YIII cations is coordinated by one fully deprotonated EDTA which link also four NaI cations. Each of the NO3- anions bridge two YIII ions, while each of the two hydroxy groups bride one YIII cation and one NaI cation. The environment around the octacoordinated YIII cations are best described as a square antiprisms. The environments around the pentacoordinated NaI ions are best described as a square pyramidal geometries, while the hexacoordinated NaI ions exhibit octahedral environments. The molecule features a typical 3D hydrogen-bonded network with diverse coordination geometries (square antiprismatic Y³⁺, square pyramidal/octahedral Na⁺). Chemistry ; Yttrium ; Block (permutation group theory) ; Coordination complex ; Sodium ; Combinatorial chemistry ; Stereochemistry ; Inorganic chemistry ; Metal ; Organic chemistry ; Oxide Organometallic Complex Synthesis and Catalysis ; Metal complexes synthesis and properties ; Magnetism in coordination complexes