jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: S. -T. Liu | Xiaochun Liu | Fangjun Lan | Tongyan Ding | Shujuan Yang | Hongmei Yang | Zhimin Zhao | Qinqin Wang | Zhenwen Zhou
Source: Arabian Journal of Chemistry (article, 2026-03-06)
Field: Materials Science — Materials Chemistry

Polyol-synthesized bismuth oxide nanorods: Interaction with blood protein and antibacterial activity Bismuth oxide (Bi₂O₃) nanorods (NRs) with rod-like morphology and nanoscale dimensions are emerging as promising candidates for biomedical applications. In this study, we comprehensively evaluated both their antibacterial efficacy and their interaction with a key biological protein, hemoglobin (Hb). Bi₂O₃ NRs were synthesized via a simple solution-based method, producing uniform rods with an average diameter of ∼8 nm and a length of ∼50 nm. Biochemical and biophysical analyses revealed that Bi₂O₃ NRs, which exhibit negligible hemolytic activity, strongly interact with Hb, leading to pronounced changes in hydrodynamic diameter, zeta potential, and aggregation behavior. Spectroscopic and molecular docking studies further confirmed static quenching and hydrophobic interactions, leading to conformational alterations in Hb structure. In addition, the antibacterial activities of both Bi₂O₃ NRs and Bi₂O₃ NR-Hb complexes were examined. Bi₂O₃ NRs exhibited strong antibacterial effects against Staphylococcus aureus, Escherichia coli , and Pseudomonas aeruginosa , with minimum inhibitory concentrations (MICs) of 50, 25, and 100 µg/mL, respectively. However, upon complexation with Hb, the resulting structural changes were accompanied by a marked reduction in antibacterial efficacy. This dual assessment highlights both the therapeutic promise and potential risks of Bi₂O₃ NRs: while they are potent antibacterial agents, their ability to interact with and perturb protein structure may lead to diminished antimicrobial performance and unintended biological effects. Overall, these findings underscore the importance of simultaneously evaluating antibacterial properties and protein interactions to ensure the safe and effective biomedical application of nanomaterials. Antibacterial activity ; Docking (animal) ; Escherichia coli ; Zeta potential ; Nanorod ; Antibacterial agent ; Antimicrobial ; Molecular dynamics Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Polymer Surface Interaction Studies
Authors: Jinbei He | Lingzhi Chen | Hualiang HUANG
Source: Arabian Journal of Chemistry (article, 2026-03-12)
Field: Materials Science — Materials Chemistry

Corrosion behavior and mechanism of copper soaked in ammonia water The corrosion behavior and mechanism of Cu soaked in ammonia water were studied at 30°C using open circuit potential (OCP), electrochemical impedance spectroscopy (EIS) and polarization curve, combined with optical microscopy, scanning electron microscopy (SEM), X-ray powder diffractometer (XRD), energy dispersive spectrometer (EDS), X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared spectroscopy (FT-IR) and other analytical techniques. The findings demonstrated that when the concentration of ammonia water increased from 0.1 wt.% to 1.0 wt.%, the corrosion rate of Cu increased from 21.9 μA/cm 2 to 32.3 μA/cm 2 , and when the temperature of ammonia water increases from 30°C to 50°C, the corrosion rate of Cu increased from 30.2 μA/cm 2 to 68.5 μA/cm 2 . The surface of Cu had obvious oxidation discoloration in ammonia water, the corrosion reactions of Cu in ammonia water involved oxidation-reduction and complexation process, and ammonia formed copper-ammonia complexes with Cu (I) and Cu (II), destroying the Cu surface protective film and accelerating oxidation corrosion. In ammonia water, the corrosion products of Cu were Cu 2 O, CuO, Cu(OH) 2 and copper-ammonia complexes. Ammonia ; Corrosion ; Copper ; Diffractometer ; X-ray photoelectron spectroscopy ; Dielectric spectroscopy ; Scanning electron microscope Corrosion Behavior and Inhibition ; Metallurgy and Material Science ; Nanoporous metals and alloys
Authors: Muhammad Sani
Source:  (article, 2026-03-05)
Field: Materials Science — Materials Chemistry

The Systematic Parameter Optimization of Displacement Reactions for Tailored ZnS Nanostructure Morphologies Precise regulation of zinc sulfide (ZnS) nanostructure morphology remains a significant objective in semiconductor materials research, as functional performance is highly sensitive to variations in particle size and geometry. This study presents a comprehensive evaluation of displacement reaction synthesis parameters to achieve controlled morphological engineering of ZnS nanostructures. The influence of precursor concentration, reaction temperature, pH, solvent characteristics, reaction time, and ionic strength on nucleation behavior and crystal growth dynamics was systematically examined. Through deliberate adjustment of these variables, diverse structural forms, including nanoparticles, nanorods, nanosheets, and hierarchical architectures, were consistently synthesized without relying on external templates or complex directing agents. The results demonstrate that supersaturation levels predominantly regulate nucleation rates, whereas temperature and pH significantly affect anisotropic growth and defect evolution. Additionally, solvent polarity and reaction duration contribute to surface energy stabilization and aggregation control, facilitating uniform crystallite size and structural homogeneity. Structural characterization verifies the formation of phase-pure, highly crystalline ZnS, while optical analysis reveals morphology-dependent shifts in band-gap energy attributable to quantum confinement and surface-state phenomena. Overall, the study delineates clear relationships between reaction conditions and resulting nanostructure morphology, providing a rational framework for scalable displacement-based synthesis of ZnS tailored for optoelectronic, photocatalytic, and sensing technologies. Nanostructure ; Displacement (psychology) ; Nanoparticle ; Work (physics) ; Deformation (meteorology) Quantum Dots Synthesis And Properties ; nanoparticles nucleation surface interactions ; Chemical and Physical Properties of Materials
Authors: Ana S. Dobrota | Natalia V. Skorodumova | Igor A. Pašti
Source: ArXiv.org (article, 2026-02-03)
Field: Materials Science — Materials Chemistry

Single-Atom Adsorption on h-BN along the Periodic Table of Elements: From Pristine Surface to Vacancy-Engineered Sites The adsorption of single atoms on pristine and defected hexagonal boron nitride (h-BN) was systematically investigated using density functional theory. Elements from the first three rows of the periodic table, together with selected transition and coinage metals, were examined on the pristine surface and at boron- and nitrogen-vacancy sites. On pristine h-BN, adsorption is generally weak and dominated by dispersion forces, with measurable chemisorption limited to highly electronegative atoms such as C, O, and F. The introduction of vacancies transforms h-BN into a chemically active material, increasing adsorption energies by one to two orders of magnitude. The boron vacancy strongly stabilizes metallic and electropositive species through coordination to undercoordinated nitrogen atoms, whereas the nitrogen vacancy selectively binds electronegative and covalent adsorbates. Scaling of adsorption energies with elemental cohesive energies distinguishes regimes of physisorption, chemisorption, and substitutional stabilization. These insights provide a unified description of adsorption trends across the periodic table and establish defect engineering as an effective strategy for tailoring the catalytic, sensing, and electronic properties of h-BN. Adsorption ; Vacancy defect ; Chemisorption ; Boron nitride ; Periodic table ; Covalent bond ; Transition metal ; Nitrogen ; Dispersion (optics) Boron and Carbon Nanomaterials Research ; Graphene research and applications ; Carbon Nanotubes in Composites
Authors: Reza Afshar Ghotli | Mina Namvari | Barun Kumar Chakrabarti
Source: Advanced Materials Technologies (article, 2026-01-24)
Field: Materials Science — Materials Chemistry

Electrochemical Etching: Towards a Scalable Production of MXene ABSTRACT MXenes, a class of 2D transition metal carbides, nitrides, and carbonitrides, are gaining attention for their remarkable properties, including high electrical conductivity, large surface area, and excellent electrochemical performance. These attributes make MXenes suitable for applications in energy storage, sensors, catalysts, and electromagnetic interference shielding. However, one of the significant challenges with MXene synthesis is the use of hazardous hydrofluoric acid (HF) in the etching process, which also presents environmental concerns, thereby limiting their scalability and broader use. This has prompted significant research into alternative synthetic methods by using safer fluoride‐containing salts or electrochemical etching techniques. The electrochemical etching process provides larger lateral dimensions of MXene flakes due to the controlled etching process, surpassing HF decomposition. The slow etching also leads to uniform and larger‐sized MXene sheets along with relevant functional groups, which can be advantageous for certain applications. This review dives into the electrochemical etching route for preparing MXenes, elaborating on the effect of time, voltage, and electrolyte composition on the morphology, electrical conductivity, surface termination, and performance of the obtained MXenes on the target application. The potential to achieve a sustainable mass production is briefly explored to guide future research directions in this growing area. MXenes ; Etching (microfabrication) ; Electrochemistry ; Hydrofluoric acid ; Electrolyte ; Electrode ; Limiting MXene and MAX Phase Materials ; 2D Materials and Applications ; Electromagnetic wave absorption materials
Authors: Tong Chen | Fengqin Wang
Source: Frontiers in Chemistry (article, 2026-03-26)
Field: Chemistry — Organic Chemistry

Synthesis and host-guest chemistry of a thiophene-extended pillar[6]arene: toward applications in nitroaromatics removal and cell imaging Over the past decade, significant progress has been made in the study of pillar [n]arenes; however, the development of their analogs remains underexplored, offering new opportunities for the discovery of functional materials. In this work, a luminescent thiophene-extended pillar [6]arene (<b>TPExP6</b>) featuring a π-rich cavity was designed and synthesized from 2,5-dibromothiophene and (4-formylphenyl)boronic acid via a five-step procedure with an overall yield of approximately 9.8%. This molecule combines an extended π-conjugated cavity with strong intrinsic emission, enabling it not only to form stable host-guest complexes with nitrobenzene derivatives for the effective removal of persistent nitroaromatic pollutants from water but also to be applied in tumor cell imaging. This achievement substantially advances the application of macrocyclic compounds in environmental protection and biomedical materials. Nitrobenzene ; Pillar ; Yield (engineering) ; Molecule ; Luminescence ; Small molecule ; Biological imaging Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials ; Synthesis and Properties of Aromatic Compounds
Authors: Shahin Reem | A.O. Rodin
Source: Reviews on advanced materials and technologies (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A Review on Supercapacitors and Activated Carbon Electrodes: Synthesis, Activation Routes, and Characterization Methods Electrochemical supercapacitors are increasingly important for applications requiring high power density, rapid charge–discharge, and long cycle life. This review examines the fundamental charge-storage mechanisms of supercapacitors, with emphasis on electrochemical double-layer capacitance and pseudocapacitance, and discusses the role of core device components. Particular focus is placed on activated carbon electrodes, highlighting how precursor selection, activation route, pore structure, and surface chemistry govern electrochemical performance. Physical and chemical activation strategies are compared, and recent examples of biomass-derived activated carbons are summarized to illustrate structure–property–performance relationships. Standard physical and electrochemical characterization techniques used to evaluate supercapacitor electrodes are also reviewed. Finally, key challenges and future research directions are outlined, emphasizing the need for electrode–electrolyte co-optimization, scalable synthesis routes, and environmentally sustainable activation methods to enable high-performance supercapacitor technologies. Supercapacitor ; Characterization (materials science) ; Capacitance ; Activated carbon ; Electrochemistry ; Carbon fibers Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation ; Nanoporous metals and alloys
Authors: A Subagio | Heydar Ruffa Taufiq | Heri Sutanto | Risma Aimatul Qudsiyah | Markus Diantoro | Ishmah Luthfiyah | Agus Purwanto | Worawat Meeyasana
Source: Trends in Sciences (article, 2026-02-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis of MWCNTs/AC-Based Supercapacitor Electrode Composite and Analysis Using a Three-Electrode System with Various Electrolyte Concentrations The limited electrical conductivity and pore utilization of conventional activated-carbon-based electrodes often restrict the achievable energy density of supercapacitors, especially when electrolyte conditions are not optimally engineered. This study aims to overcome these limitations by developing a multiwalled carbon nanotubes/activated carbon (MWCNTs/AC) composite electrode and systematically elucidating the role of H2SO4 electrolyte concentration on its electrochemical performance using a three-electrode configuration. The MWCNTs/AC composite was fabricated via a simple physical–chemical route and deposited on copper foil, while its structural and morphological characteristics were confirmed by XRD, SEM, and TEM analyses, which demonstrated successful integration of conductive MWCNT networks within the porous AC matrix. Electrochemical behavior was evaluated by cyclic voltammetry, galvanostatic charge–discharge, and electrochemical impedance spectroscopy at H2SO4 concentrations of 0.05, 0.1, 0.5, and 1 M to clarify the correlation between ion availability, charge-transfer resistance, and double-layer formation. Optimized electrolyte engineering at 1 M H2SO4 yielded a high specific capacitance of 528.57 F g⁻¹, with an energy density of 436.73 Wh g⁻¹, a power density of 391 and excellent cycling stability of 98.89% after 5,000 cycles, indicating efficient ion transport and low internal resistance. Compared with previous carbon-based systems, the combined strategy of tailoring both the MWCNTs/AC composite architecture and electrolyte concentration provides a clear pathway to simultaneously enhance capacitance, energy density, and durability, highlighting the MWCNTs/AC electrode as a promising candidate for high-performance aqueous supercapacitors. HIGHLIGHTS A simple physical–chemical route was used to synthesize MWCNT/AC composite electrodes. The influence of H₂SO₄ electrolyte concentration (0.05 - 1 M) on supercapacitor performance was systematically investigated. The composite exhibited excellent electrochemical behavior with a maximum specific capacitance of 528.57 F g⁻¹ at 1 M H₂SO₄. EIS analysis revealed reduced charge transfer resistance and improved ion diffusion at higher electrolyte concentrations. The MWCNT/AC electrode demonstrated high energy density (436.73 Wh kg⁻¹) and good cycling stability, confirming its potential for high-performance energy storage devices. GRAPHICAL ABSTRACT Electrolyte ; Supercapacitor ; Composite number ; Dielectric spectroscopy ; Electrochemistry ; Electrode ; Capacitance ; Conductivity Supercapacitor Materials and Fabrication ; Adsorption and biosorption for pollutant removal ; Microbial Fuel Cells and Bioremediation
Authors: Greyson Greischar | Tapiwa Gono Phiri | Ellie Haljun | Jenna Ray | Meheret K. Ourgessa | Garrett Thesing | Lila Lofving | Aidan J. Clarkson | Suzanna Bator | Durwynn Jno Baptise | Wyatt Cole | Michael Itschner | Yutan D.Y.L. Getzler
Source: iScience (article, 2026-02-28)
Field: Chemistry — Organic Chemistry

Synthesis and characterization of γ-acyloxyl-ε-caprolactones ε-Caprolactone (ECL) and its derivatives are widely used in the synthesis of useful polymers. Reported herein is the gram-scale synthesis of a series of ECL derivatives with an exocyclic acyloxyl substituent at the 4- or γ-position. Of the eight compounds included, six are previously unreported, and one has conflicting characterization data. A full suite of NMR data (<sup>1</sup>H, <sup>13</sup>C, COSY, HMBC, and HMQC) is provided for all previously unreported lactones, with NOESY in select cases. This allows detailed assignment of each resolved signal and determination of conformation. Additionally, the standard characterization of intermediates is provided along with statistics on average reaction yields. This work will support the proper characterization of polymers synthesized with these monomers, especially polymers with complex sequences where structure-property relationships are critical. Characterization (materials science) ; Solid-phase synthesis Chemical Synthesis and Reactions ; Synthesis and Characterization of Pyrroles ; Biochemical and biochemical processes
Authors: Y. C. Yu | Xue Yong | Shuai Lü
Source: Science China Materials (article, 2026-03-17)
Field: Materials Science — Materials Chemistry

Engineering ambient superconductivity and hardness in cage-like borides with s-block and d-block metals Abstract Borides, exhibiting complex bonding and structural diversity, are promising materials in the fields of ambient superconductivity and hard materials. Although some cage borides with either superhard or superconductivity have been reported, there is still a lack of systematic tuning of the metal centers in regulating their superconductivity and hardness. This study investigates the impact of s-block/d-block metal elements on the superconducting and hardness properties of boron cage lattices under ambient conditions. Using first-principles calculations, we predict a novel class of stable cage-like metallic borides, MB 8 (M = Na, Be, Mg, Sr, Sc, Y, Ti, Zr, Hf, V, Nb, Ta) characterized by metal embedded in B–B sublattices composed of 4/8 member B-rings. Superconductivity, hardness, and electronic structure calculations indicate that s-block and d-block metals influence the p-orbital occupancy of B bands, affecting both the electron-phonon coupling (EPC) constant and the bonding strength. In general, within the I 422 MB 8 (B 16 cage) structural family investigated here at ambient pressure, s-block metals enhance the EPC constant (λ) and favour higher superconducting critical temperature ( T c ) but weaken the hardness, whereas d-block metals contribute the opposite. Therefore, the T c of NaB 8 reached 24.4 K, which is among the highest values reported for boron cage compounds, while ZrB 8 from d-block metals exhibits the highest hardness (21.9 GPa) among. This work proposes a pathway for designing novel superconductors with robust mechanical performance under ambient pressure and elucidates the distinct roles of s-block and d-block metals in modulating the superconductivity and hardness of cage-like borides. Superconductivity ; Metal ; Ambient pressure ; Boron ; Electronic structure ; Work (physics) ; Proximity effect (electron beam lithography) Boron and Carbon Nanomaterials Research ; Superconductivity in MgB2 and Alloys ; MXene and MAX Phase Materials
Authors: Z. Li | Xunchang Wang | Xiaosong Qiu | Xinpeng Yang | Linming Bi | Jin Chen | Qian Wang | Yurong He | Jingyi Xiong | Renqiang Yang
Source: Advanced Science (article, 2026-01-20)
Field: Materials Science — Materials Chemistry

Dilution Effect for High‐Performance Multiple‐Component Near‐Infrared Organic Photodetectors Despite the demonstrated efficacy of multiple-component (MC) blends in enhancing the performance of near-infrared organic photodetector (NIR-OPD), elucidating the fundamental working mechanism and material design criteria is still crucial for further optimizing MC NIR-OPDs. Here we elucidate a dilution effect as mechanism in MC-OPDs featuring two highly miscible constituents. Compared with the binary NIR-OPD, the MC device with dilution effect enables higher luminescence quantum efficiencies for suppressing non-radiative decay, significant reduction in dark current density (J<sub>d</sub>) to 1.52 × 10<sup>-10</sup> A cm<sup>-2</sup> at -0.2 V, and leading to a high detectivity (D<sup>*</sup>) of 6.98 × 10<sup>13</sup> Jones at 840 nm. Additionally, we revealed that electrons can transfer between different acceptors, governed by their energy level offset, which contributes to the largely unperturbed charge transport and faster response time of 0.63/3.59 µs. Moreover, we successfully validate the efficacy of dilution effect in high-fidelity pulse signal detection and low-light NIR imaging, demonstrating great promise for next-generation wearable health/imaging-monitoring technologies. Dilution ; Photodetector ; Quantum efficiency ; Dark current ; SIGNAL (programming language) ; Photodiode ; Detector ; Quantum dot Luminescence and Fluorescent Materials ; Organic Electronics and Photovoltaics ; Advanced Sensor and Energy Harvesting Materials