jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ali Irfan | Mahwish Arshad | Sami A. Al-Hussain | Ayesha Amin | Iqra Nasim | Sadaf Ahmad | Bakar Bin Khatab Abbasi | Aamal A. Al‐Mutairi | Tahira Khalid | Magdi E. A. Zaki
Source: Journal of Saudi Chemical Society (article, 2026-01-16)
Field: Chemistry — Organic Chemistry

Recent advances in the synthetic transformation of benzimidazole scaffolds as privileged pharmacophores for cancer chemotherapy (2020–present) Benzimidazole is a fused heterocycle of benzene and imidazole rings. It has attracted marked attention as a privileged pharmacophore with a wide spectrum of biological activities-bioactivities among which anticancer therapeutic potential is most studied. This review presents synthetic approaches in structural diversity comprehensively approved clinically used drugs by the FDA patents and benzimidazole-based hybrid therapeutics advancements with special consideration of their potential as anticancer agents. The compiled research in this article revealed that many benzimidazole derivatives even hybrids with triazole quinoline hydrazine oxazole coumarin moieties etc. execute topoisomerase inhibitory tubulin disruptive DNA intercalating fragmenting apoptosis inducing varied biological mechanisms. Several conventional and green synthetic methods involving ultrasonic-and-microwave-assisted synthesis, one-pot reactions, multicomponent reactions (MCRs), and click reactions are described emphasized on optimized yields and compound structural variability. The addition of electron-withdrawing groups (EWGs), electron-donating groups (EDGs), metal complexes, and scaffold-linking approaches have possibly enhanced their anticancer activity. Strikingly, FDA-approved benzimidazole drugs and clinical candidates exhibited potential chemotherapeutic anticancer activity, bioavailability, and molecular selectivity. A detailed structure–activity relationship (SAR) emphasizes the role of the benzimidazole nucleus in discovering anticancer agents and provides future direction toward structure-guided rational design for developing next-generation therapeutic agents containing the versatile benzimidazole nucleus. Benzimidazole ; Pharmacophore ; Benzothiazole ; Oxazole ; Rational design ; Broad spectrum ; Topoisomerase Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles ; Click Chemistry and Applications
Authors: Davinder Prasad | Archana Asatkar | Swetlana Prerna Ram | Santosh Singh | Santosh Kumar Prajapati | Subhash Banerjee
Source: Frontiers in Catalysis (article, 2026-01-05)
Field: Chemistry — Organic Chemistry

Activated carbon sheets from pomegranate peel with ionic liquid for Knoevenagel condensation: synthesis of aryledene and xanthene derivatives Introduction Development of a mild and sustainable protocol for the carbon-carbon bond formation via Knoevenagel condensation is essentially desirable because the products, aryledene derivatives, are useful intermediates and are widely used in the manufacture of fine chemicals, pharmaceutically active molecules, calcium channel blockers, natural products, as well as in the production of flavours and fragrances. Method Activated carbon sheets were fabricated from pomegranate peels via calcination, activation by KOH and were characterization using Raman spectroscopy, powder XRD, FESEM, FESEM-EDX, and TGA studies. The ionic liquid, [pmIm]Br was synthesized by reacting a 1:1 mixture of N-methyl imidazole and n-pentyl bromide under microwave irradiation. Results and discussion Pomegranate peel–derived two-dimensional graphitic activated carbon (PPAC) nanosheets, with lateral dimensions of 40–200 nm and lengths of 4–10 μm, were confirmed through Raman spectroscopy, powder XRD, FESEM, and other studies. The PPAC, combined with the ionic liquid [pmIm]Br, demonstrated remarkable catalytic performance in the Knoevenagel condensation of aromatic aldehydes with active methylene compounds, producing the corresponding aryledene derivatives in excellent yields (90%–95%) within 5–20 minutes under mild conditions. Furthermore, the PPAC/[pmIm]Br catalytic system efficiently facilitated the synthesis of xanthene derivatives via a tandem condensation–cyclization pathway. The catalyst was easily recovered and reused over five consecutive cycles with minimal loss of activity. This work highlights a renewable, biomass-derived carbon framework as a dual-function, environmentally friendly catalyst for effective C–C bond formation and heterocycle synthesis, offering a scalable approach aligned with green chemistry and waste valorization principles. Knoevenagel condensation ; Xanthene ; Ionic liquid ; Catalysis ; Tandem ; Activated carbon ; Green chemistry ; Bromide Multicomponent Synthesis of Heterocycles ; Catalytic Cross-Coupling Reactions ; Synthesis and biological activity
Authors: Tereza Hofmanova | Rudolf Andrýs | Miroslav Lísa
Source: Analytical and Bioanalytical Chemistry (article, 2026-02-10)
Field: Chemistry — Spectroscopy

Derivatization agents for LC-MS analysis of amino acids: effects of core structure and functional groups The analysis of amino acids in biological samples is challenged by their high polarity, low ionization efficiency, and lack of chromophores, which limit detection by LC-UV or LC-MS. Derivatization is widely used to improve retention, sensitivity, and detection. In this study, derivatization agents based on pyridine, quinoline, and isoquinoline positional isomers scaffolds with COCl, SO₂Cl, and NHS ester reactive groups were systematically evaluated using deuterium-labeled amino acids to assess stability, derivatization efficiency, chromatographic behavior, and MS response. NHS ester-based agents were found to exhibit superior stability, maintaining activity for over 1 year, whereas carbonyl chlorides and sulfonyl chloride-based agents were highly reactive but less stable. NHS ester of isoquinoline-6-carboxylic acid (6-CiQ-NHS) was identified as the most effective agent, combining rapid derivatization, strong MS signal, and stability. LC-MS analysis demonstrated excellent linearity (R<sup>2</sup> ≥ 0.995), low nanomolar detection limits (0.23-6.33 nM), and separation of isomeric amino acids (e.g., isoleucine/leucine). 6-CiQ-NHS is proposed as a practical derivatization approach for amino acid quantification and provides a framework for the rational design of future agents. Derivatization ; Amino acid ; Detection limit ; Sulfonyl ; Isoquinoline ; Quantitative analysis (chemistry) Analytical Chemistry and Chromatography ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Gerges Gad Faheem | Bahig A. El Deeb | Mohamed Ismeal | Mahmoud S. Bakhit
Source: Scientific Reports (article, 2026-01-03)
Field: Materials Science — Materials Chemistry

Biomolecular strategy for designing antibiotic–silver nanoparticles conjugate via nitrate reductase mediated β-lactamase inhibition with molecular docking insights In this study, mechanistic analysis using SDS-PAGE identified a 58 kDa protein as the biomolecule responsible for AgNPs biosynthesis and capping. Colorimetric microplate-based assay confirmed the protein as nitrate reductase, with structural preservation evidenced by a 29.68% activity increase (1.856 to 2.407 U/g) following AgNPs synthesis. Functionalization of AgNPs with ampicillin was indicated by SPR shift from 422.5 to 340.5 nm and disappearance of the FTIR band at 1736 cm⁻¹. Amp-AgNPs conjugate was stable (3 months), semi-spherical crystalline, polydisperse (PDI: 0.192), average diameter of 27.26 nm, zeta potential of - 24.9 mV, and showed broad pH (1-9) and thermal (5-55 °C) stability. Docking analysis revealed strong binding of ampicillin within the nitrate reductase catalytic pocket through hydrogen bonding, hydrophobic, and electrostatic interactions, confirming the conjugate stability. Amp-AgNPs (50 µg/mL) exhibited potent antibacterial activity against β-lactamase-producing bacteria with inhibition zones of 27.3 mm (Escherichia coli), 25.0 mm (Enterococcus faecalis), and 26.3 mm (Staphylococcus aureus), and MICs of 3.3, 4.7, and 4.3 µg/mL, respectively. SEM analysis revealed severe structural changes, indicating synergistic membrane disruption and antibiotic delivery. Amp-AgNPs potently inhibited β-lactamase in the iodometric assay, supporting their potential as alternative therapeutic agents. Future studies should focus on in vivo efficacy and expand this strategy to additional drug delivery applications. Nitrate reductase ; Conjugate ; Zeta potential ; Antibacterial activity ; Docking (animal) ; In vivo ; Escherichia coli ; Biomolecule Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Graphene and Nanomaterials Applications
Authors: Tianle Tang | Jun Zhang | Yan Wang | Guoping Chen | Kehui Yuan | Yuan He | Chenchen Li | Sumaira Hanif | Yijun Yang | Yanli Wang | Pir Muhammad
Source: Advanced Science (article, 2026-01-15)
Field: Materials Science — Materials Chemistry

Precision‐Engineered Silver Single‐Atom Carbon Dot Nanozymes for Theranostic Management of Acute Kidney Injury Overproduction of reactive oxygen species (ROS) is a key pathogenic feature in acute kidney injury (AKI), leading to rapid decline in renal function with high mortality rates that call for effective antioxidant therapies. Herein, we present triphenylphosphonium-functionalized carbon dots supported by single-atom silver (T-Ag<sub>SA</sub>-CDs) that integrate fluorescent antioxidant nanozymes for the accurate ROS scavenging and real-time bioimaging of AKI. By anchoring silver in single-atom and sub-nanocluster states on a carbon dot matrix, T-Ag<sub>SA</sub>-CDs exhibit exceptional superoxide dismutase (SOD)- and glutathione peroxidase (GPx)-like activities, surpassing traditional nanozymes in ROS neutralization efficiency. Density functional theory (DFT) calculations disclose a low-energy reaction pathway common to both nitrogen-doped carbon dots (N-CDs) and Ag<sub>SA</sub>-CDs, clarifying the mechanism behind their dual SOD- and GPx-mimetic activities. The biocompatible N-CDs platform guarantees the stability, minimizes Ag<sup>+</sup>-associated toxicity, and enhances catalytic performance through synergistic Ag<sub>SA</sub>-CD interactions. Targeting mitochondria through triphenylphosphonium functionalization facilitates site-specific antioxidant protection, demonstrating robust therapeutic efficacy in a cisplatin-induced AKI mouse model. Additionally, the intrinsic fluorescence of T-Ag<sub>SA</sub>-CDs facilitates non-invasive monitoring of biodistribution and renal accumulation, promotes the recovery of damaged kidney tissue, alleviates oxidative stress and post-cure assessment, and offers a self-reported theranostic platform, while also aiming to improve its clinical application. Reactive oxygen species ; Oxidative stress ; Antioxidant ; Biocompatible material ; Superoxide dismutase ; Biodistribution ; Glutathione Advanced Nanomaterials in Catalysis ; Carbon and Quantum Dots Applications ; Nanoplatforms for cancer theranostics
Authors: Marius Brits | Francelle Bouwer | Joe M. Viljoen
Source: Methods and Protocols (article, 2026-01-21)
Field: Chemistry — Spectroscopy

RP-DAD-HPLC Method for Quantitative Analysis of Clofazimine and Pyrazinamide for Inclusion in Fixed-Dose Combination Topical Drug Delivery System Reversed-phase high-performance liquid chromatography (RP-HPLC) remains one of the most widely applied analytical techniques in the development and quality control testing of finished pharmaceutical products. The combination of gradient chromatographic methods with diode-array detection (DAD) enhances selectivity, ensuring accuracy and reliability when testing drugs with diverse chemical properties in a single dosage form (i.e., fixed-dose combination (FDC) products). In this study, an RP-DAD-HPLC method was developed for the quantitative analysis of clofazimine (CFZ) and pyrazinamide (PZA) for inclusion in an FDC topical drug delivery system. Chromatographic separation was achieved using a C18 column (4.6 mm × 150 mm, 5 µm particle size) with gradient elution at 1 mL/min, employing 0.1% aqueous formic acid and acetonitrile (mobile phases). PZA and CFZ were detected at 254 nm and 284 nm, respectively. The method was validated in accordance with ICH Q2 guidelines, assessing specificity (considering interference from solvents, product matrix, and degradation products), linearity (7.8-500.0 µg/mL, r<sup>2</sup> = 0.9999), system repeatability (%RSD ≤ 2.7%), and intermediate precision (25-500 µg/mL, %RSD ≤ 0.85%). Method robustness was evaluated using a three-level Box-Behnken design (BBD) with response surface methodology (RSM) to assess the effects of variations in detection wavelength, mobile phase flow rate, and column temperature. Clofazimine ; Repeatability ; Formic acid ; Quantitative analysis (chemistry) ; Dosage form ; Pyrazinamide ; Drug delivery ; Elution Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Advanced Drug Delivery Systems
Authors: Yuanren Zhou | Xuanye Cai | Jian Yu | Xinliang Ji
Source: Energy Economics (article, 2026-03-04)
Field: Materials Science — Materials Chemistry

Climate target announcements as catalysts for artificial intelligence advancement Climate change ; Renewable energy ; Climate policy ; Climate change mitigation ; Political economy of climate change ; Electrification ; Investment (military) ; Climate Finance ; Extreme weather Machine Learning in Materials Science ; Scientific Computing and Data Management ; Explainable Artificial Intelligence (XAI)
Authors: A. Priyadharshini | S. P. Vinodhini | Joseph Raj Xavier
Source: Ionics (article, 2026-01-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A comprehensive review of graphene-based nanocomposites for high-performance energy storage: advances in design, electrochemical mechanisms, and future prospects Graphene ; Energy storage ; Electrochemical energy storage ; Oxide ; Nanocomposite ; Electrochemistry ; Heteroatom ; Electrochemical energy conversion Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Graphene research and applications
Authors: Dong Kyo Oh | Hyunjung Kang | Dohyun Kang | Joohoon Kim | Junsuk Rho
Source: Nature Reviews Materials (article, 2026-01-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nanoprinting metasurfaces with engineered optical materials Fabrication ; Photonics ; Scalability ; Plasmon ; Metamaterial ; Nanolithography ; Bridging (networking) ; Optical engineering ; Optical materials Metamaterials and Metasurfaces Applications ; Photonic Crystals and Applications ; Optical Coatings and Gratings
Authors: Siyuan Jiang | Ying Yang | Ziang Liu | Rui Yang | He Yan | Xiuwen Cheng
Source: Journal of Hazardous Materials (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Accelerating catalytic process optimization for water treatment via automated knowledge extraction and machine learning Pipeline (software) ; Process (computing) ; Parsing ; Work (physics) ; Knowledge acquisition ; Quality (philosophy) ; Process optimization ; Automated method ; Water treatment Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Advanced Photocatalysis Techniques
Authors: Rafał Jesiołkiewicz | Marcin Wekwejt | Agnieszka Ossowska
Source: Ceramics International (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Emerging trends in 3D printing of self-setting pastes with a focus on magnesium phosphate cements: From development to biomedical potential - a comprehensive review 3D printing ; Biocomposite ; Biofabrication ; 3D bioprinting ; 3d printed ; Process (computing) ; Regenerative medicine Magnesium Oxide Properties and Applications ; Bone Tissue Engineering Materials ; Magnesium Alloys: Properties and Applications
Authors: Ahmed S. El-tahlawy | Abderrahman Lamaoui | Waleed Alahmad | Aziz Amine
Source: Critical Reviews in Analytical Chemistry (article, 2026-02-16)
Field: Chemistry — Analytical Chemistry

Critical Challenges and Future Directions of Electrosynthesized Molecularly Imprinted Polymers for Bacterial Sensing Molecularly imprinted polymers (MIPs) have gained attention as synthetic receptors for electrochemical sensing due to their mechanical and operational robustness, low cost, and tunable selectivity. Although extensively explored for small-molecule detection, their application in bacterial sensing remains limited. Whole-cell bacterial imprinting presents significant challenges arising from the large size, structural complexity, motility, and limited accessibility of surface functional groups of bacteria. These factors hinder efficient imprinting, template removal, and rebinding, often leading to poor selectivity and reproducibility. In addition, MIP films deposited on conventional electrodes, such as glassy carbon, frequently suffer from mechanical fragility, including cracking and delamination, which hampers long-term performance and point-of-care applicability. Many existing systems rely on indirect redox-probe-based detection, further complicating selectivity and reproducibility and underscoring the need for direct electrochemical readout strategies. This review critically evaluates the challenges associated with electrosynthesized MIPs for bacterial sensing, focusing on imprinting efficiency, template removal, rebinding, and electrode preparation. Future perspectives are outlined, including artificial intelligence-assisted MIP design, printed electronics, advanced electrosynthesis and template removal strategies, hybrid transduction mechanisms, and integration with smartphones and microfluidics for practical, field-deployable bacterial biosensors. Molecularly imprinted polymer ; Molecular imprinting ; Microfluidics ; Electrosynthesis ; Polymer ; Imprinting (psychology) Analytical chemistry methods development ; Biosensors and Analytical Detection ; Microfluidic and Capillary Electrophoresis Applications
Authors: Xinyue Chen | Q. Q. Wang
Source: Analytical Chemistry (article, 2026-01-21)
Field: Materials Science — Materials Chemistry

Recent Advances of Optical Sensing Arrays (2019–2025): From Design of Optical Elements to Multidimensional Analysis for Applications Optical sensor arrays have emerged as a powerful paradigm for high-throughput, multiplexed analysis, overcoming the limitations of traditional single-analyte sensing by leveraging cross-reactive elements to generate distinct multidimensional response patterns. This comprehensive review systematically outlines recent advancements in the design, material integration, and application of optical sensing arrays. It begins by introducing the fundamental principles and design strategies of sensor arrays, followed by an in-depth discussion of a broad spectrum of optical sensing elements─including organic dyes, quantum dots, metal nanoparticles, metal-organic frameworks, lanthanide-based materials, and nanozymes, et al. The review further elaborates on innovative strategies for constructing sensing platforms, such as ligand functionalization, multi-channel integration, modulation of environmental factors, and single-element systems with multidimensional outputs. Key optical response mechanisms, including direct binding, competitive binding, aggregation-induced emission, and dual-band ratiometric sensing, are critically examined for their roles in enhancing sensitivity, specificity, and self-calibration capabilities. The application scope of these arrays is extensively covered, spanning natural product analysis, food and environmental safety monitoring, biomedical diagnostics, and chiral discrimination. Emphasis is also placed on emerging portable platforms for on-site detection. Finally, we discuss current challenges and future directions, highlighting the integration of artificial intelligence, novel nanomaterial designs, and field-deployable systems. Scope (computer science) ; Key (lock) ; Optical sensing ; Multiplexing ; Emphasis (telecommunications) ; Modulation (music) ; Multidimensional systems Advanced Nanomaterials in Catalysis ; Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials
Authors: Muhammad Zubair Khan | Mohsin Saleem | Muhammad Bilal Hanif | Jung-Hyuk Koh | Iftikhar Hussain | Urooba Gulshan | Sumaira Latif | Hanfeng Liang | Abdul Ghaffar | Imran Shakir | Bin Lin
Source: Applied Energy (article, 2026-01-06)
Field: Materials Science — Materials Chemistry

Advanced electrochemical impedance spectroscopy for high-performance solid oxide fuel cells: A critical review Dielectric spectroscopy ; Solid oxide fuel cell ; Electrolyte ; Oxide ; Electrical impedance ; Electrochemistry ; Durability Advancements in Solid Oxide Fuel Cells ; Electrocatalysts for Energy Conversion ; Fuel Cells and Related Materials
Authors: Ola G. Hussein | Amr M. Mahmoud | M. K. Abd El-Rahman | Aya A. Mouhamed
Source: Journal of Analytical Science & Technology (article, 2026-02-13)
Field: Materials Science — Materials Chemistry

Copper-carbidopa nanoparticles as highly active laccase-mimics for colorimetric detection and oxidative catalysis of o-phenylenediamine Abstract Copper-carbidopa nanoparticles (PCD-Cu NPs) have emerged as efficient laccase-mimicking nanozymes with strong potential for biosensing and oxidative catalysis. Their catalytic performance was investigated using o -phenylenediamine (OPD) as a model substrate which undergoes a colorimetric transformation into an oxidized chromophore detectable at 422.0 nm. The reaction followed typical Michaelis-Menten kinetics exhibiting a low apparent K m of 30.0 µM indicating a high binding affinity between the nanozyme and OPD while the V max was determined to be 7.0 µM/min reflecting moderate catalytic turnover. The colorimetric response was linear in the OPD concentration range of 3.0-100.0 µM with a calculated limit of detection (LOD) of 2.46 µM confirming the material’s applicability in sensitive and quantitative biosensing. Optimal catalytic activity was observed at pH 6.0 and 40 °C conditions that closely mimic physiological environments thus supporting the nanozyme’s suitability for biological and clinical sample analysis. Kinetic studies under various pH and temperature conditions further affirmed the robustness of PCD-Cu NPs with negligible activity loss across a pH range of 5.0 to 7.5. Reusability assessments showed that the nanoparticles retained over 80% of their initial activity after five catalytic cycles indicating excellent operational stability. The oxidation of OPD not only provides a straightforward visual signal for detection but also serves as a model for monitoring oxidative transformations relevant in biomedical assays. Collectively, the high substrate affinity, broad detection range, thermal endurance, and biological compatibility of PCD-Cu NPs establish them as promising candidates for applications in biosensor platforms, diagnostic devices, and green oxidation processes. Catalysis ; Detection limit ; Biosensor ; Nanoparticle ; Kinetics ; Substrate (aquarium) ; Oxidative phosphorylation ; Linear range Advanced Nanomaterials in Catalysis ; Biosensors and Analytical Detection ; Nanocluster Synthesis and Applications