jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Anabela Ljubić | Ana Jurinjak Tušek | Anita Šalić | İrena SKORIC
Source: Catalysts (article, 2026-02-03)
Field: Chemistry — Organic Chemistry

Tuning Wittig Stereoselectivity in Thienostilbene Synthesis via Optimized Reaction Conditions in Batch and Flow Systems This study investigates the influence of reaction conditions on the stereoselective Wittig synthesis of a thienostilbene analogue of trans-resveratrol. Reaction conditions were systematically varied across batch experiments and analysed using Spearman correlation, principal component analysis (PCA), and response surface methodology (RSM) to identify key factors (base type and amount, solvent type and volume, system configuration, and reaction time) affecting conversion and the trans/cis ratio. The base type, solvent type, and system configuration had the strongest impact on stereoselectivity, while solvent volume proved effective in enhancing the trans-isomer. PCA revealed that cyclic ether solvents combined with medium-strong bases provide the best balance between conversion and selectivity. RSM predicted optimal conditions in a two-phase NaOH system via phase transfer catalysis (PTC) with increased organic solvent volume, which experimentally increased conversion from 35% to over 92% and raised the trans/cis ratio to 1.81. Transferring the optimized process to continuous flow dramatically reduced reaction time, achieving 67.5% conversion in 15 min while maintaining stereoselectivity. These results demonstrate how statistical optimization combined with flow processing can significantly accelerate the development of stereoselective Wittig reactions. Wittig reaction ; Stereoselectivity ; Solvent ; Flow chemistry ; Catalysis ; Solvent effects ; Base (topology) ; Reaction conditions ; Ether Phosphorus compounds and reactions ; Innovative Microfluidic and Catalytic Techniques Innovation ; Microwave-Assisted Synthesis and Applications
Authors: Meita Mahardianti | Salsabila Septha Kharisma | Rosita Wati | Yusuf Affandi
Source: Journal of Energy Material and Instrumentation Technology (article, 2026-03-01)
Field: Materials Science — Biomaterials

Biopolymer Gel from Pineapple Peel (Ananas comosus) Waste-Based Gel with Sodium Chloride (NaCl) for Optimizing Electrocardiogram (ECG) Signal Recording Pineapple peel (Ananas comosus) as organic waste has potential as a raw material for biomedical gel in electrocardiogram (ECG) recording. ECG gel functions as a conductive medium facilitating electrical transmission between skin and electrodes to improve cardiac signal accuracy. This study developed gel from pineapple peel waste with sodium chloride (NaCl) addition for ECG recording optimization. The process included pineapple peel extraction, gel formulation using carbomer 940, and extract concentration variations of 10-100%. Evaluation was conducted on physical properties including electrical conductivity, viscosity, pH, density, crust thickness, and ECG recording performance. Results showed gel with 20-50% pineapple peel extract had high conductivity, skin-compatible pH (4.5-7), and reduced crust thickness. ECG recording produced well-defined P, QRS, and T waves with minimal noise. These findings demonstrate that pineapple peel waste-based gel is a promising eco-friendly alternative for cardiac diagnostics and sustainable organic waste utilization. Sodium ; SIGNAL (programming language) ; Biopolymer ; Signal averaging ; Signal processing Nanocomposite Films for Food Packaging ; Pineapple and bromelain studies ; Hydrogels: synthesis, properties, applications
Authors: Anjali Goel | Deepa Saini | Shikha | Monika Rani | Pooja
Source: Asian Journal of Chemistry (article, 2026-03-06)
Field: Materials Science — Materials Chemistry

Green Synthesis, Characterisation and Antibacterial and Anticancer Activities of Palladium-Iridium Bimetallic Nanoparticles using Murraya koenigii Leaf Extract In this work, palladium and iridium monometallic nanoparticles (MMNPs), along with their bimetallic counterparts (BMNPs) in different ratios 1:1, 2:1 and 1:2, were synthesised using the green-mediated scheme by employing Murraya koenigii leaf extract, a medicinal plant rich in bioactive compounds such as flavonoids with known antibacterial and anticancer properties. The consequent nanoparticles were characterised by several techniques including UV-visible absorption (UV-Vis), X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HR-TEM), Fourier transform infrared spectroscopy (FTIR), thermal analysis (TGA, DTA and DTG) and X-ray photoelectron spectroscopy (XPS). The XRD analysis confirmed the formation of PdO, IrO2, along with Pd-Ir BMNPs. Further, the antibacterial efficacy of PdO, IrO2 and Pd-Ir nanoparticles was evaluated along with Gram-positive (Staphylococcus aureus) and Gram-negative (Pseudomonas aeruginosa) bacteria. Notably, PdO MMNPs exhibited superior antibacterial activity against Pseudomonas with an inhibition zone of ± 9.33 mm at a 50 µg/mL concentration. Moreover, both mono- and bimetallic nanoparticles were assessed for their cytotoxic effects on the MCF-7 breast cancer cell line, where IrO2 MMNPs demonstrated the most potent anticancer properties, yielding an IC50 value of 236.8 ± 0.12 µg/mL. Bimetallic strip ; Nanoparticle ; Murraya ; Fourier transform infrared spectroscopy ; Antibacterial activity ; Transmission electron microscopy ; X-ray photoelectron spectroscopy ; Iridium Nanoparticles: synthesis and applications ; Berberine and alkaloids research ; Synthesis and bioactivity of alkaloids
Authors: Erika Jadira Romero Cardenas | Byron Ramiro Romero Romero | Xiomara Zúñiga Santillán | Diego Vladimir Tapia Núñez | Juan Diego Valenzuela Cobos | Edwin Carrasquero Rodríguez
Source: Journal of Environmental Engineering and Landscape Management (article, 2026-02-11)
Field: Materials Science — Polymers and Plastics

From waste to resource: bibliometric evaluation of the use of banana pseudostems as biodegradable material The search for sustainable alternatives has positioned banana pseudostems as a promising material for the production of bioplastics, biopolymers, and eco-friendly composites. This bibliometric review of 119 publications (2003–2024) reveals growing academic interest in its use as a biodegradable material, with an annual growth rate of 8.91% and an average of 15.25 citations per article. Pseudostem fibers have superior mechanical properties, with a tensile strength of 458 MPa and a modulus of 17.14 GPa. Bioplastics derived from this biomass are not only viable alternatives to conventional plastics, especially in packaging, but also provide antibacterial and UV protection. In addition, these fibers function as efficient biosorbents, achieving up to 100% arsenic removal in water. Sentiment analysis of scientific abstracts indicates a predominant feeling of confidence and optimism, reinforcing the potential of banana pseudostems in sustainable industrial applications and highlighting their role in advancing the circular economy. Bioplastic ; Biomass (ecology) ; Sustainable production ; Ultimate tensile strength ; Production (economics) Natural Fiber Reinforced Composites ; Nanocomposite Films for Food Packaging ; Advanced Cellulose Research Studies
Authors: Samar O. Aljazzar | Abidemi Mercy Babatimehin | Oyebola Elizabeth Ogunbamowo | Moamen S. Refat | Lamia A. Albedair | Edwin Andrew Ofudje
Source: Bioresources and Bioprocessing (article, 2026-01-28)
Field: Materials Science — Materials Chemistry

Eco-friendly silver nanoparticles from neem extracts: a dual approach to heavy metal sensing and antimicrobial applications This work investigates the green synthesis of silver nanoparticles (AgNPs) using mixed aqueous extracts of Azadirachta indica leaves and roots as natural reducing and stabilizing agents. The synthesis was optimized by varying extract concentration, pH, and temperature, and nanoparticle formation was confirmed by UV-Vis spectroscopy showing a characteristic surface plasmon resonance between 350 and 450 nm. Structural and morphological analyses {X-ray diffraction (XRD), scanning electron microscope (SEM), Fourier-Transform Infrared (FT-IR), particle size analysis} revealed predominantly crystalline, spherical AgNPs capped by phytochemicals like flavonoids, phenols, amide- and carbonyl-containing compounds. The phytochemical profile of the extract was further validated by Gas Chromatography-Mass Spectrometry (GC-MS) analysis. The biosynthesized AgNPs exhibited strong colorimetric sensing capability for heavy metals, showing noticeable spectral and visible color changes particularly in the presence of Hg<sup>2</sup>⁺, Pb<sup>2</sup>⁺, and Cd<sup>2</sup>⁺ ions. Antibacterial evaluation indicated significant inhibitory activity against Staphylococcus aureus (33 ± 0.13 mm) and Escherichia coli (45 ± 0.21 mm), outperforming standard gentamycin controls. These findings highlight neem-derived AgNPs as low-cost, eco-friendly nanomaterials with dual applications in environmental monitoring of heavy metals and antimicrobial therapy. Silver nanoparticle ; Azadirachta ; Surface plasmon resonance ; Antimicrobial ; Nanoparticle ; Scanning electron microscope ; Nanomaterials ; Phytochemical ; Antibacterial activity Nanoparticles: synthesis and applications ; Phytochemicals and Medicinal Plants ; Heavy metals in environment
Authors: SHARMA AAKANKSHA | Behar Neha | Purena Rupal
Source: Plant Science Today (article, 2026-03-19)
Field: Materials Science — Materials Chemistry

Biogenic zinc nanoparticles synthesized from Terminalia chebula Retz: A sustainable approach to synthesis, characterization and antimicrobial studies Zinc nanoparticles (ZnNPs) are particularly valuable due to their broad applications, including antibacterial, antifungal, anti-diabetic and wound healing properties. In this study the phytochemicals of Terminalia chebula Retz. fruits were extracted via Soxhlet extraction and cold extraction method using methanol as solvent after that, ZnNPs were synthesized using a green chemistry methodology employing the above methanolic extracts. After the synthesis, qualitative phytochemical analysis of the extract was executed to precisely identify the key biomolecules responsible for facilitating the nanoparticle formation. The ZnNPs were characterized using UV-Visible (UV-Vis) spectroscopy, fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and scanning electron microscopy (SEM). Subsequently, their effectiveness as an antibacterial agent was tested against Gram-positive and Gram-negative bacteria. Visual observation confirmed nanoparticles formation through a colour change from brown to creamy. UV-Vis spectroscopy showed characteristic absorption peak around 360–380 nm, which is the typical excitonic peak of Zn nanoparticles. X-ray diffraction analysis confirmed the highly crystalline and polycrystalline nature of the zinc nanoparticles, while FTIR spectra revealed differences in extraction efficiency between Soxhlet and cold extraction methods. Scanning electron microscopy analysis showed irregular morphology and agglomerated clusters of the synthesized ZnNPs. Crucially, the T. chebula mediated ZnNPs demonstrated broad-spectrum antimicrobial activity, often surpassing streptomycin, with optimal activity between 150–200 µg/mL, highlighting its potential as a source for natural antimicrobial compounds. Terminalia chebula ; Fourier transform infrared spectroscopy ; Extraction (chemistry) ; Phytochemical ; Nanoparticle ; Scanning electron microscope ; Antimicrobial ; Infrared spectroscopy Nanoparticles: synthesis and applications ; Phytochemicals and Medicinal Plants ; Heavy Metals in Plants
Authors: Sivan Arber Raviv | Rawan Mhajne | Maayan Ben‐Eliezer | Tamar Gross Lev | Assaf Zinger
Source: Small (article, 2026-01-12)
Field: Materials Science — Biomaterials

Selective Membrane Protein Enrichment Enables Defined Biomimetic Nanoparticles for Endothelial Targeting Nanoparticles offer a promising strategy for targeted drug delivery while reducing off-target toxicity. Biomimetic nanoparticles, which integrate native cell components, enhance biological compatibility but often suffer from poorly defined protein compositions that hinder reproducibility and clinical translation. Here, we present a next-generation biomimetic approach to engineer Particular Nanoparticles (PNPs)- formulation enriched with specific, functionally relevant membrane proteins for precise control and tunability. We incorporated leukocyte adhesion proteins (including CD18, CD11a, and CD11b) into the nanoparticle membrane to enhance targeting of inflamed sites. Using a 2D microfluidic model that mimics human blood vessels, adhesion-enriched PNPs demonstrated significantly improved endothelial interactions and greater accumulation under flow at inflamed endothelium compared to conventional Leukosomes. This protein-defined biomimetic nanoparticle platform offers enhanced targeting efficiency, improved reproducibility, and translational potential for inflammation-targeted therapies. Microfluidics ; Nanoparticle ; Drug delivery ; Membrane ; Targeted drug delivery ; Membrane protein ; Cell ; Cell adhesion Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Extracellular vesicles in disease
Authors: B Prathibha | Smitha G. Nair | V. Gnana Glory Kanmoni
Source: Asian Journal of Chemistry (article, 2026-04-08)
Field: Materials Science — Materials Chemistry

Phytogenic Synthesis, Characterisation and Multifunctional Antibacterial, Antioxidant and Anti-inflammatory Activities of Zinc Oxide Nanoparticles In recent decades, phytochemically synthesised green nanoparticles have been extensively developed to meet a wide range of applications driven by the growing research interest in this area. Phytosynthesis of metal oxide nanoparticles was carried out using plant parts of Artocarpus altilis as the reducing agent. Zinc sulphate was used as the precursor, while aqueous extracts of leaves and stem bark served as the plant sources. The resulting zinc oxide nanoparticles, ZONP1 and ZONP2, were characterized using various physico-chemical techniques. SEM analysis shows large sized particles with irregular shapes as a result of agglomeration, a widely observed aspect in green synthesis. Both the nanoparticles show crystalline structures resembling standard wurtzite and their crystalline size is approximately 20 nm (XRD). From the FTIR spectra, the role of biomolecules in the formation of nanoparticles is confirmed and the UV-Vis results show a broad hump around 290-340 nm. Regarding the surface area, ZONP1 possesses a larger surface area of 14.12 m2/g, while ZONP2 has a larger pore size of 13.99 nm. ZONP1 shows a broad antibacterial spectrum while ZONP2 is active towards Gram-positive Bacillus cereus with an inhibition zone of 25 mm. While comparing the antioxidant capacity using the ABTS assay of ZONP1 with the larger surface area is found to show higher scavenging activity but regarding the anti-inflammatory results the ZONP2 with larger pore sizes show higher efficiency. Thus biological active chemically non-toxic environmentally safe nanoparticles are generated at minimum cost. Nanoparticle ; Zinc ; Bacillus cereus ; Wurtzite crystal structure ; Biomolecule ; Fourier transform infrared spectroscopy ; Antioxidant ; ABTS Nanoparticles: synthesis and applications ; Phytochemistry and biological activities of Ficus species ; Biological Activity of Diterpenoids and Biflavonoids
Authors: Ndanduleni Lethole | Emeka Harrison Onah
Source: Applied Sciences (article, 2026-03-26)
Field: Materials Science — Materials Chemistry

Exploration of Structural, Thermodynamic, Magnetic, Mechanical, and Dynamical Properties of Martensite Fe3Pt Alloys: A Density Functional Theory Study The current study explored the martensite structures of Fe3Pt alloys, specifically Cmmm-Fe3Pt, P63/mmc-Fe3Pt, P4/mmm-Fe3Pt, and R3¯m-Fe3Pt, aiming to provide a comprehensive understanding of the mechanisms that govern their physical and chemical properties. We have focused on their structural, thermodynamical, magnetic, electronic, mechanical, and dynamical characteristics, utilizing the density functional theory (DFT) technique. Our study revealed that in addition to the previously reported austenitic cubic Pm3¯m-Fe3Pt and martensite tetragonal I4/mmm-Fe3Pt with L12 structure, there exist additional Fe3Pt phases that exhibit excellent structural, thermodynamic, magnetic, and mechanical properties. The calculated enthalpies of formation were found to be negative and less than −0.39 eV in all the structures considered, indicating thermodynamic stability and formation under experimental synthetic conditions. Moreover, the computed magnetic moments are in the range 2.94 to 3.04 μB, which is relatively comparable to 3.24 μB of the widely reported Pm3¯m-Fe3Pt alloy. The analysis of the electronic structure also revealed strong magnetism due to the presence of asymmetry in the spin-up and -down states of the density of states (DOS) plots. To determine the mechanical response of Fe3Pt structures under loading conditions, we computed the independent elastic constants, macroscopic properties, and stress–strain relationship under hydrostatic stress. All four phases were studied, but the hypothetical P63/mmc-Fe3Pt showed excellent mechanical stability at ambient conditions and exceptional hardness and resistance to compression in the elastic region 0% ≤ strain ≤ 10%. This evidence is provided by satisfying the Born necessary stability conditions, large bulk modulus, and a strong linear relationship fit (R2) of greater than 0.94. Moreover, the phonon dispersion curves revealed dynamical stability for Cmmm-Fe3Pt and R3¯m-Fe3Pt, and metastability for P4/mmm-Fe3Pt, while the hypothetical P63/mmc-Fe3Pt is unstable. Austenite ; Martensite ; Tetragonal crystal system ; Magnetism ; Density functional theory ; Hydrostatic pressure ; Hydrostatic equilibrium ; Pseudoelasticity Shape Memory Alloy Transformations ; Intermetallics and Advanced Alloy Properties ; Metallic Glasses and Amorphous Alloys
Authors: A Thomas | Kalaiselvan Selvaraj | Rajendran Venkatesh | M. Mangalam | Ashmitha Elangovan | Nirubama Kumar
Source: Asian Journal of Chemistry (article, 2026-04-08)
Field: Materials Science — Materials Chemistry

Green Synthesis and Characterisation of Silver Nanoparticles using Tuber Extract of Drynaria quercifolia (L.) J.Sm.: In vitro Cytotoxicity Activity against Human Liver Cancer (HepG2) Cells Nanomedicine enables targeted drug delivery within the tumor microenvironment and shows considerable promise for the treatment of hepatocellular carcinoma (HCC). This study investigates the phytoconstituents of Drynaria quercifolia, which are known for their antioxidant, antimicrobial, and anti-inflammatory activities. In addition, silver nanoparticles (Ag NPs) were synthesized from the tuber extract of D. quercifolia and their apoptotic and cytotoxic effects were evaluated. The results demonstrated that the high concentrations of phenols and flavonoids contribute significantly to antioxidant activity, with IC50 values of 223.70 µg/mL in the DPPH assay and 208.56 µg/mL in the ABTS+ assay, values that are comparable to the standard IC50. The formation of silver nanoparticles was confirmed by UV-visible spectroscopy, which showed a characteristic absorption peak at 445 nm. FTIR spectroscopy indicated the presence of O–H functional groups, while SEM analysis revealed crystalline nanoparticles with an approximate size of 40 nm. Furthermore, cytotoxicity assays clearly demonstrated a dose-dependent decrease in the viability of HepG2 cells. Similar observations were obtained in apoptosis assays using Ag NPs. Cytotoxicity ; Silver nanoparticle ; DPPH ; In vitro ; Nanoparticle ; Apoptosis ; Antioxidant ; Hep G2 ; MTT assay Nanoparticles: synthesis and applications ; Phytochemicals and Antioxidant Activities ; Bioactive Compounds in Plants
Authors: Junsu Park
Source: Preprints.org (preprint, 2026-03-23)
Field: Materials Science — Materials Chemistry

Small Data, Small Model, Superior Domain Accuracy: Fine-Tuning a 7B Language Model as a Condensed Matter Physics Expert with 64 Examples Large language models excel at general scientific reasoning but struggle to reproduce the precise details of individual research papers, including specific numerical values, fabrication protocols, and mechanistic arguments. We address this limitation by fine-tuning a 7-billion-parameter model on only 64 question-answer pairs from a single condensed matter physics paper using Quantized Weight-Decomposed Low-Rank Adaptation with Chain-of-Thought reasoning (QDoRA+CoT). The fine-tuned model, evaluated under closed-book conditions, achieves 73% accuracy on 30 expert-designed questions, surpassing a 235-billion-parameter model with open-book access (60%) and the same base model with open-book access (30%). Our results demonstrate that targeted fine-tuning with minimal data on a single consumer GPU can produce domain expertise superior to models with 33 times more parameters, offering a practical pathway for researchers to build personalized AI assistants for their own work. Language model ; Domain (mathematical analysis) ; Subject-matter expert ; Base (topology) ; Domain adaptation ; Adaptation (eye) ; Knowledge base ; Domain-specific language Machine Learning in Materials Science ; Artificial Intelligence in Healthcare and Education ; Multimodal Machine Learning Applications
Authors: Lívia Vieira Araujo de Castilho | Aline Loureiro Barreto | Karen Caroline Ferreira Santaren | Mariana Barbalho Farias Rosenblatt | Igor Taveira | Jefferson Cypriano | Fernanda P Abreu | Mateus Gomes de Godoy | Diogo Jurelevicius | Lucy Seldin
Source: Frontiers in Microbiology (article, 2026-01-05)
Field: Materials Science — Materials Chemistry

Anticorrosion potential of a bioemulsifier produced by Psychrobacillus antarcticus Val9 isolated from Antarctic soil These findings highlight the dual action of the tested bioproducts: direct surface protection and strategic microbial community modulation. This integrated approach offers a sustainable alternative to conventional chemical biocides, with potential applications in offshore pipelines and industrial water systems. Sustainable agriculture ; Submarine pipeline ; Pipeline transport ; Seawater ; Bacteria ; Microorganism Corrosion Behavior and Inhibition ; Bacterial biofilms and quorum sensing ; Microbial Applications in Construction Materials