jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kingsley Makoji Omatola | Rotimi Larayetan | A. D. Onojah | Godwin John | Gloria N. Aningo
Source: Discover Chemistry. (article, 2026-03-26)
Field: Materials Science — Materials Chemistry

Synthesis of ultra-low density nanosilica with extended Si-O-Si molecular network for Cr(VI) ions capture integrating monoazoic dye-surface interactions by molecular docking study Nanosilica gels were synthesized by sol-gel route from Rice husk and Beach Sand, and characterized by XRD, FTIR, SEM, XRF, TEM, SAED and pHpzc techniques for batch adsorption of Cr(VI) ions, integrating molecular docking study of AY dye onto the adsorbents. The XRD spectra, and SAED images confirmed that the gels were polycrystalline, while TEM images revealed varying nanometric particle with diameters of 14.70 and 13.3 nm for Rice Husk Aerogel (RHA) nad Beach Sand Aerogel (BSA) adsorbents respectively. The optimum adsorption capacities of 24.02, and 15.62 mg/g of Cr (VI) ions onto RHA and BSA adsorbents were obtained, while 3.20 and 2.39 mg/g of AY dye were obtained for RHA and BSA adsorbents respectively. The Langmuir model gave the best fit to adsorption of AY dye onto RHA adsorbent suggesting monolayer and homogenous adsorption, while Cr(VI) ions adsorption better fit to the Freundlich and Temkin models. All ∆H and ∆S values for adsorption of Cr(VI) ions and AY dye onto RHA and BSA adsorbents show endothermic and random processes respectively, while ∆G and Ea values showed spontaneous processes. The molecular docking experiment showed that the interaction mechanisms between Si-O-Si surface and AY dye, revealed electrostatic attractions and hydrogen bonding. A value of -6.30 kcalmol− 1 was obtained as the best binding pose with an average hydrogen bond lengths of 2.20 Å. This reveals the potential of the adsorbents for complex wastewater systems, as they offer both experimental evidence and atomic-scale insights into surface-contaminant interactions. Ion ; Molecular dynamics ; Molecule ; Density functional theory Mesoporous Materials and Catalysis ; Adsorption and biosorption for pollutant removal ; Layered Double Hydroxides Synthesis and Applications
Authors: Jackie Way | Taylor Sherman | Scott Leleika | Karen Crippen | Rebekah Wilson | Tekle Tafese Fida
Source: Frontiers in Microbiology (article, 2026-03-10)
Field: Materials Science — Materials Chemistry

Enrichment and comparative metagenomics of microbes involved in biocorrosion of gas transport or storage steel infrastructure Biocorrosion, also known as microbiologically influenced corrosion (MIC), is the deterioration of metals caused by microbial activities that compromise the structural integrity, reliability, and safety of steel infrastructure. To identify the genetic determinants that MIC-causing microorganisms may use to attack steel infrastructure, field samples from natural gas infrastructure with a potential history of MIC were collected, enriched for different MIC categories, and subjected to whole-genome shotgun sequencing for metagenomic analysis. Biofilms were grown on carbon steel coupons or glass slides as attachment substrates to assess differences in microbial community composition and metabolic activities. The highest corrosion activities were observed in enrichments dominated by acid-producing bacteria (APB) and hydrogen-utilizing bacteria. APB enrichments resulted in the highest accumulation of organic acids and a severe decrease in culture fluid pH. A total of 57 metagenome-assembled genomes were recovered from the biofilms, some of which differed between carbon steel coupons and glass slide substrates. The metagenomes contained most of the known genes implicated in MIC and sulfide production, with substantial variation in estimated gene copy numbers among metagenomes and attachment substrates. Overall, comparative analysis of these biofilm metagenomes enriched from natural gas production and processing infrastructure highlights similarities to microbial communities commonly observed in oil production and processing systems and provides an overview of candidate genes that may be used as molecular probes for MIC. Metagenomics ; Biofilm ; Microorganism ; Corrosion ; Microbial population biology ; Bacteria ; Carbon fibers ; Pyrosequencing ; Carbon steel Corrosion Behavior and Inhibition ; Odor and Emission Control Technologies ; Metal Extraction and Bioleaching
Authors: Mei-Hsueh Nien | Shinn-Shyong Tzeng
Source: Coatings (article, 2026-03-12)
Field: Materials Science — Materials Chemistry

Pulse Electrodeposition-Assisted Ni Catalysts for Methane-Derived Carbon Nanostructure Growth on Woven Carbon Fabrics Engineering carbon nanostructures directly on carbon fiber fabrics offers an effective route to constructing hierarchical multifunctional coating systems. In this study, methane-based chemical vapor deposition (CVD) was employed to investigate nanocarbon coating formation on woven carbon fabrics supported by electrodeposited Ni catalysts. Catalyst morphology was systematically engineered through surface pretreatment, electric-field configuration, and pulse electrodeposition. At 700 °C, methane activation was insufficient to sustain continuous nanocarbon growth, indicating a temperature-dependent activation threshold. Raising the growth temperature to 900 °C enabled sustained methane decomposition and produced dense nanocarbon coatings; hydrogen assistance suppressed amorphous deposition and promoted more ordered nanofilament features. Pulse electrodeposition refined Ni catalyst dispersion and nucleation density, improving coating uniformity compared with direct-current deposition. Structural ordering was further supported by Raman spectroscopy (D and G bands with an average ID/IG of 0.678 ± 0.068 for methane-grown samples versus 0.798 ± 0.011 for electrodeposition-only controls) and by HRTEM revealing multi-layer graphitic walls (~0.34 nm interlayer spacing). Together, the results support a methane-derived dissolution–diffusion–precipitation growth pathway governed by catalyst morphology, temperature, and gas composition. This controllable, textile-compatible catalyst engineering approach provides a scalable route to hierarchical graphitic coatings for carbon-fabric-based composites, electromagnetic interference shielding, and thermal management applications. Catalysis ; Amorphous carbon ; High-resolution transmission electron microscopy ; Nucleation ; Coating ; Carbon fibers ; Nanostructure ; Methane ; Chemical vapor deposition ; Nanoparticle Carbon Nanotubes in Composites ; Fiber-reinforced polymer composites ; Diamond and Carbon-based Materials Research
Authors: Xueying Li | Asfandyar Shahab | J. L. Chen | Wei Li | Hua Zhang | Danxu Wang | Xinyu Tang | Mingxin Bin | Licheng Peng | Abubakr M. Idris
Source: Water (article, 2026-01-28)
Field: Chemistry — Inorganic Chemistry

Magnetic Metal–Organic Framework: An Innovative Nanocomposite Adsorbent for the Removal of Emerging Drug Contaminants from Water The widespread use of antibiotics has taken a heavy toll on the environment, which cannot be ignored. Tetracycline antibiotics (TCs), as representative pharmaceutical contaminants, have emerged as a growing environmental concern due to their persistence and potential ecological risks. This study utilized 1,3,5-benzenetricarboxylic acid (BTC) as a functionalizing reagent to synthesize magnetic nanoparticles NiFe2O4-COOH. These were then combined with Zr-MOF to create the magnetic adsorbent designated as NCF@Zr-MOF (where NCF represents carboxyl-functionalized nickel ferrite). Magnetic solid-phase extraction (MSPE) technology was employed to remove two representative tetracycline antibiotics, tetracycline (TC) and chlortetracycline (CTC) from the environment. The Langmuir model fitting revealed maximum adsorption reached 190.85 and 196.32 mg/g for TC and CTC, respectively, both of which conformed to the pseudo-second-order model during the adsorption process with spontaneous, heat-absorbing and entropy-increasing properties. Furthermore, following five cycles of adsorption and desorption, the removal rate for TCs was found to have decreased by 30%, yet the removal of CTCs remained at 95.32%. This adsorbent enables rapid separation via an external magnetic field. With its excellent stability and reusability, NCF@Zr-MOF shows great potential for removing antibiotics from water. Adsorption ; Tetracycline antibiotics ; Tetracycline ; Magnetic separation ; Magnetic nanoparticles ; Reagent ; Nanocomposite ; Antibiotics Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Environmental remediation with nanomaterials
Authors: Shahid Hameed | W Abou El-Maaty | Esam  A. Gomaa | Fathi S. Awad
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

PAR-intercalated Mg/Al layered double hydroxide for efficient adsorption of acid fuchsin: experimental study and molecular docking insights This study systematically investigated the adsorptive removal of acid fuchsin (AF), an anionic dye, from aqueous solutions using a 4-(2-pyridylazo)resorcinol-intercalated magnesium/aluminum layered double hydroxide (PAR-Mg/Al LDH). The composite was successfully synthesized and characterized by FTIR, XRD, SEM, EDX, and XPS. Batch adsorption experiments demonstrated that PAR intercalation significantly enhanced the adsorption performance compared to pristine Mg/Al LDH. Key parameters influencing the adsorption process, including contact time, initial dye concentration, pH, and temperature, were systematically optimized. The adsorption isotherm data were best described by the Langmuir model, indicating monolayer adsorption with a high maximum capacity of 568.18 mg g<sup>-1</sup>. Kinetic studies revealed that the adsorption process followed the pseudo-second-order model, with excellent agreement between experimental and calculated adsorption capacities. Further kinetic analysis using intraparticle diffusion and Boyd models demonstrated that the adsorption process proceeds <i>via</i> a multi-step mechanism, where external mass transfer dominates the initial stage, followed by intraparticle diffusion at later stages. The PAR-Mg/Al LDH composite also exhibited good reusability over five consecutive adsorption-desorption cycles, maintaining high removal efficiency. These findings highlight the effectiveness of PAR-Mg/Al LDH as a promising adsorbent for the removal of anionic dyes from aqueous environments. Adsorption ; Monolayer ; Aqueous solution ; Hydroxide ; Intercalation (chemistry) ; Diffusion ; Langmuir adsorption model Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Fluoride Effects and Removal
Authors: Christian McGovern | Kyle A. Oubre | Ethan M. Harkin | Sayyam Deshpande | Ethan M. Walker | Carolyn T. Long | John D. Bernardin | Micah James Green
Source: ACS Applied Engineering Materials (article, 2026-02-24)
Field: Materials Science — Materials Chemistry

Using Electric Fields for in Situ Curing of Carbon Fiber/Phenolic Composites in Additive Manufacturing In this paper, we demonstrate electrothermal heating and curing of carbon fiber (CF)/phenolic composites to enable successive deposition for additive manufacturing (aka 3D printing). Electric fields are capable of heating susceptor materials, which makes them a potential heat source for 3D printing thermoset composites, such as CF/Phenolic prepregs. We investigated the heating response of CF/phenolic prepregs when exposed to electric fields and found that our prepregs reached the target temperature of 210 °C when the electric field applicator was supplied with low power (8 W). We also show continuous heating and curing by translating prepregs through an electric field. Finally, we demonstrate additive manufacturing by manually depositing a layer or prepreg, using an electric field to perform in situ curing, and then repeating the process to create multilayer structures. This multilayer structure showed no macroscopic deformation in contrast to conventional methods and showed that additive manufacturing is possible. Curing (chemistry) ; Thermosetting polymer ; Electric field ; Electric heating ; Susceptor ; Manufacturing process ; Electric current ; Carbon fibers Carbon Nanotubes in Composites ; Additive Manufacturing and 3D Printing Technologies ; Fiber-reinforced polymer composites
Authors: Mengya Zhang | Jie Zhou | Nuofan Tang | Yijun Hu | Fuchao Yan | Yuxia Chen | Yong Guo | Daowu Tu
Source: Polymers (article, 2026-01-25)
Field: Materials Science — Polymers and Plastics

Bio-Inspired Microstructural Engineering of Polyurethane Foams with Luffa Fibers for Synergistic Optimization of Ergonomic Support and Hygrothermal Comfort Traditional flexible polyurethane (PU) foams frequently exhibit limited mechanical support and suboptimal moisture-heat regulation, which can compromise the microenvironmental comfort required for high-quality sleep. In this study, natural luffa fibers (LF) were incorporated as a microstructural modifier to simultaneously enhance the mechanical and moisture-heat regulation performance of PU foams. PU/LF composite foams with varying LF loadings were prepared via in situ polymerization, and their foaming kinetics, cellular morphology evolution, and physicochemical characteristics were systematically investigated. The results indicate that LF functions both as a reinforcing skeleton and as a heterogeneous nucleation site, thereby promoting more uniform bubble formation and controlled open-cell development. At an optimal loading of 4 wt%, the composite foam developed a highly interconnected porous architecture, leading to a 7.9% increase in tensile strength and improvements of 19.4% and 22.6% in moisture absorption and moisture dissipation rates, respectively, effectively alleviating the heat-moisture accumulation typically observed in unmodified PU foams. Ergonomic pillow prototypes fabricated from the optimized composite further exhibited enhanced pressure-relief performance, as evidenced by reduced peak cervical pressure and improved uniformity of contact-area distribution in human-pillow pressure mapping, together with an increased SAG factor, indicating improved load-bearing adaptability under physiological sleep postures. Collectively, these findings elucidate the microstructural regulatory role of biomass-derived luffa fibers within porous polymer matrices and provide a robust material basis for developing high-performance, sustainable, and ergonomically optimized sleep products. Ultimate tensile strength ; Composite number ; Polyurethane ; Porosity ; Polymer ; Nucleation ; Absorption of water ; Moisture Polymer composites and self-healing ; Polymer Foaming and Composites ; Cellular and Composite Structures
Authors: Zhenqiao Ma | Yi Xiong | Yiqing Deng | Peini Li | Xiandi Yang | Zhi Qing Ye | Qiang Zhao
Source: Coatings (article, 2026-02-13)
Field: Chemistry — Inorganic Chemistry

PEI-Functionalized Surface Coating on Carbonized ZIF-8 for Enhanced Adsorption of Methyl Orange The contamination of water resources by high concentrations of organic dyes poses severe threats to human health, making the removal of these pollutants critical. Metal–organic frameworks (MOFs) have shown promising potential in dye adsorption due to their high surface area and chemical stability. Zeolitic imidazolate framework-8 (ZIF-8), a typical MOF, is known for its thermal stability and is frequently used in removing organic dyes. To enhance its adsorption performance, ZIF-8 is often carbonized to form porous carbon-based materials. However, carbonized ZIF-8 (CZ) often demonstrates restricted adsorption capacity and sluggish kinetics. To address these limitations, we chemically modified low-temperature carbonized ZIF-8 (CZ-550) with polyethyleneimine (PEI) using cyanuric chloride (CC) as a crosslinking agent, producing a novel composite (CZ@PEI/CC-7) featuring abundant amine-rich active sites for adsorption. This study evaluated the adsorption performance of CZ@PEI/CC-7 in removing methyl orange (MO) dye. Our findings reveal that CZ@PEI/CC-7 exhibits accelerated adsorption kinetics aligning with the pseudo-second-order kinetic model, while its isotherms fit the Freundlich and Temkin models, highlighting a favorable multilayer adsorption. Significantly, CZ@PEI/CC-7 achieved an adsorption capacity of 3150 mg/g for MO, compared to 1100 mg/g for unmodified CZ-550. Furthermore, the composite demonstrated excellent acid-base stability across a broad pH range (2–12), retaining structural integrity and adsorption efficiency. These findings suggest that CZ@PEI/CC-7 is a promising candidate for efficient MO removal from water. Adsorption ; Methyl orange ; Carbonization ; Freundlich equation ; Zeolitic imidazolate framework ; Coating ; Thermal stability ; Composite number Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Covalent Organic Framework Applications
Authors: Harshita Jain | Iyabo Christianah Oladipo | Jashanveer Kaur | Derya Ucbas | Lovepreet Singh
Source: Sustainable Food Technology (article, 2026-01-01)
Field: Materials Science — Biomaterials

Metal–phenolic network-based edible coatings: a new class of antimicrobial and antioxidant barriers for fresh produce preservation Metal–phenolic network edible coatings form thin antimicrobial and antioxidant barriers on fresh produce, reducing microbes, browning, and moisture loss to extend shelf life and maintain quality. Shelf life ; Antioxidant ; Antimicrobial ; Moisture ; Food preservation ; Food spoilage Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Listeria monocytogenes in Food Safety
Authors: Hongyan Zhou | Ranran Jiao | Xiaotong Ma | Suyuan Zeng | Yuwei Mi
Source: RSC Advances (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

MOF-derived MoO <sub>2</sub> /C composites as high-performance electrodes for electrochemical uranium( <scp>vi</scp> ) removal In this study, an octahedral MoO<sub>2</sub>/C composite was synthesized by calcining a molybdenum-based metal-organic framework (MOF) precursor. This unique octahedral architecture significantly enhances the electro-adsorption performance while ensuring excellent structural stability. The optimized material exhibited a high U(vi) adsorption capacity of 806.79 mg g<sup>-1</sup> from a 300 mg L<sup>-1</sup> initial solution under an applied potential of 1.2 V for 5 h. Moreover, it demonstrated excellent cycling stability, maintaining a U(vi) removal rate above 65% even after ten consecutive adsorption-desorption cycles using 0.1 mol L<sup>-1</sup> Na<sub>2</sub>CO<sub>3</sub> as the eluent. This work provides a novel design strategy for developing high-capacity, stable electrode materials for efficient uranium electrosorption. Calcination ; Composite number ; Electrochemistry ; Electrode ; Octahedron Radioactive element chemistry and processing ; Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Danica Jović | Branislav Jović | I Borišev | Višnja Bogdanović | Aleksandar Djordjević
Source: Pharmaceutics (article, 2026-04-01)
Field: Materials Science — Materials Chemistry

Spectroscopic Insights into Nanodiamond–Doxorubicin Interactions in Drug Delivery Systems for Potential Cancer Treatment: “What Is Essential Is Invisible to the Eye” Background/Objectives: Non-covalent nanocarrier-based systems have become a promising platform as they offer a strategy to improve the efficacy-safety profile of doxorubicin (DOX) without altering its chemical structure. Praised for biocompatibility and rich surface chemistry, nanodiamonds (NDs) have launched as nanocarriers of choice for advanced cancer therapy. By investigating DOX-ND physicochemical interactions, this work advances the structural understanding of a non-covalent potential anticancer system, which has not been quantitatively experimentally explored so far. Methods: To our knowledge, this is among the first studies combining ultraviolet–visible (UV–VIS) spectroscopy with spectral deconvolution to reveal the redistribution of different DOX species in the presence of NDs. Centrifugation-assisted analysis enabled differentiation between hypothetical labile and stable ND/DOX fractions. Adsorption kinetics was studied, and dynamic light scattering (DLS) measured particle size and zeta potential. In vitro screening was performed in non-malignant fibroblasts (MRC-5) and malignant melanoma (HS294T), glioblastoma (U251), and breast cancer (MCF-7) cells to evaluate ND/DOX combinations. Results: Centrifugation analysis revealed heterogeneous ND-DOX binding. Kinetic experiments showed fast multi-stage adsorption kinetics, best described by a bi-exponential decay function and the Weber–Morris model. DLS suggested stable systems with a particle size within 10–80 nm, predominantly around 20 nm, and positive zeta potential. Comparative in vitro screening demonstrated differential cellular responses across cell types, highlighting the relevance of ND/DOX interactions. Conclusions: The findings contribute to elucidating ND-DOX interactions relevant for the design and optimization of drug delivery systems, emphasizing the importance of spectroscopic insights for the design of nanodiamond-based drug delivery systems. Zeta potential ; Drug delivery ; Nanocarriers ; Biocompatibility ; Cancer cell ; Dynamic light scattering ; In vitro ; Nanomedicine ; Drug Diamond and Carbon-based Materials Research ; Graphene and Nanomaterials Applications ; Chemotherapy-induced cardiotoxicity and mitigation
Authors: Sundarakannan Rajendran | Arumugaprabu Veerasimman | Vigneshwaran Shanmugam | Yo-Lun Yang | Udayakumar Marimuthu | Thirumalai Kumaran Sundaresan | Koppiahraj Karuppiah
Source: Journal of Composites Science (article, 2026-03-25)
Field: Materials Science — Polymers and Plastics

Water Absorption and Mechanical Durability of Ramie–Flax Fibre-Reinforced Epoxy Hybrid Composites Natural fibre hybrid composites have gained attention as cleaner alternatives to synthetic glass fibre systems due to their renewable feedstocks and inherent density advantage. However, moisture ingress degrades fibre–matrix integrity and mechanical performance, making durability a critical design constraint. This study systematically investigates the water absorption kinetics and post-immersion mechanical property retention in ramie–flax/epoxy hybrid composites across four fibre loadings (10–40 wt.%), with the ramie-to-flax weight ratio fixed at 1:1 in all formulations. Tensile, flexural, and impact properties were evaluated under dry and saturated conditions; Fickian diffusion kinetics were analysed to quantify moisture transport parameters; and fracture surfaces were examined by SEM. A density-based material efficiency analysis quantified the lightweighting benefit relative to equivalent synthetic glass/epoxy composites. Water absorption increased monotonically with fibre content; all formulations reached equilibrium after approximately 120 h. The 30 wt.% composite achieved dry-state tensile, flexural, and impact strengths of ca.49 MPa, ca.58 MPa, and 2.82 kJ/m2 respectively, retaining ca.78%, ca.69%, and ca.82% after full saturation, superior to all other loadings. These results establish 30 wt.% as the optimal fibre loading for moisture-exposed semi-structural applications, supporting the adoption of ramie–flax composites within a cleaner manufacturing framework. Durability ; Absorption of water ; Composite number ; Epoxy ; Moisture ; Glass fiber ; Fiber ; Diffusion Natural Fiber Reinforced Composites ; Mechanical Behavior of Composites ; Fiber-reinforced polymer composites