jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sewanu Stephen Godonu | Aafrin Steffi | David Brown
Source:  (review, 2025-04-11)
Field: Materials Science — Materials Chemistry

Catalytic ROS Therapy in Glioblastoma: A Review of the Disruptive Strategy to Target Telomerase, Induce Apoptosis, and Redefine Cancer Treatment Glioblastoma (GBM) remains a formidable challenge in neuro-oncology, necessitating innovative therapeutic strategies. Catalytic reactive oxygen species (ROS) therapy emerges as a disruptive approach, leveraging oxidative stress to selectively target tumor vulnerabilities. This review explores the mechanistic foundations of ROS therapy, including telomerase inhibition, apoptosis induction, and disruption of redox homeostasis. Advanced delivery strategies, including nanoparticle-based platforms and gene therapy, improve therapeutic effectiveness. Preclinical and emerging clinical evidence underscore the potential of ROS-based interventions, particularly in synergy with immunotherapy and radiotherapy. Overcoming resistance mechanisms via antioxidant pathway modulation and AI-driven therapy personalization could improve its clinical application. Catalytic ROS therapy provides a paradigm change, providing a new option for precision medicine in GBM therapy. Telomerase ; Glioblastoma ; Cancer ; Apoptosis ; Cancer research ; Reactive oxygen species ; Cancer therapy ; Medicine ; Chemistry ; Internal medicine ; Biochemistry ; Gene Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: MANEL LINA DJENDI | Chahrazed Benzaid | Malika Berredjem | Ismahene Grib | Rania Bahadi | Seif‐Eddine Djouad | Khadidja Otmane Rachedi | Kheireddine Ouali | Ajmal R. Bhat | Anissa Acidi
Source: ChemistrySelect (article, 2025-04-01)
Field: Chemistry — Organic Chemistry

<i>α</i> ‐Aminophosphonates: Antimicrobial, Anti‐Inflammatory, Antioxidant Activities, Molecular Docking, and DFT Studies Abstract Three α ‐aminophosphonates derived from 2‐hydroxybenzaldehyde were synthesized and evaluated their biological activities. The antimicrobial and antibiofilm properties of compounds 1A, 1B, and 1C were evaluated against a range of pathogenic bacteria and fungi, including four Gram‐negative bacteria: Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, Serratia marcescens ; one Gram‐positive bacterium: Staphylococcus aureus ; and five yeasts of the Candida genus: Candida albicans, Candida kefyr, Candida krusei, Candida lusitaniae , and Candida tropicalis . The antioxidant activity of these compounds was assessed by DPPH (2,2‐diphenyl‐1‐picrylhydrazyl). Determination of the anti‐inflammatory activity of the compounds in vitro was carried out using bovine serum albumin (BSA) protein. Computational analysis was carried out using density functional theory (DFT) with the B3LYP 6–31G (d,p) basis set, and the theoretical results were correlated with experimental data. Molecular docking study was carried out to give insights into the interactions of three derivatives with the binding sites of thymidylate kinase (TMK) in S. aureus . Compound 1b uses its phenol group to create a hydrogen bond with the amino acid Gln101. Additionally, its phenyl ring engages in a π‐stacking interaction with Tyr100 and Phe66 in the hydrophobic zone of the S. aureus TMK binding site. Antimicrobial ; Docking (animal) ; Antioxidant ; Chemistry ; Pharmacology ; Anti-inflammatory ; Combinatorial chemistry ; Biochemistry ; Medicine ; Organic chemistry Organophosphorus compounds synthesis ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and Reactivity of Sulfur-Containing Compounds
Authors: Kevin Droguett | Guillermo E. Quintero | Nuno Basílio | Angélica Fierro | Edwin G. Pérez | Margarita E. Aliaga
Source: ACS Omega (article, 2025-06-17)
Field: Chemistry — Spectroscopy

Fluorescent Probes Based on 7-(Diethylamino)quinolin-2(1<i>H</i>)-one Cucurbit[7]uril Complexes for Indicator Displacement Assays: <i>In Silico</i> and Experimental Approaches In this work, two 7-(diethylamino)-quinolin-2-(1<i>H</i>)-one derivatives (<b>DQ1</b> and <b>DQ2</b>) were synthesized and characterized both structurally and physicochemically. The interaction of these derivatives with cucurbit[7]-uril (<b>CB7</b>) was explored through combined experimental and <i>in silico</i> approaches, highlighting their unique behavior and practical potential. Experimentally, the complexes exhibited a 1:1 stoichiometry, as confirmed by fluorescence spectroscopy and isothermal titration calorimetry (ITC). Remarkably, the interaction with the <b>CB7</b> macrocycle resulted in an unusual negative shift in the p<i>K</i> <sub>a</sub> values of the probes alongside a significant enhancement in fluorescence emission, quantum yield, and fluorescence lifetime. From a computational perspective, the molecular dynamics simulations (MD) demonstrated that hydrogen bonds play a critical role in maintaining the system's stability. Finally, <b>DQ2</b> is proposed as a probe for the indicator displacement assay (IDA) and was tested using methyl viologen (<b>MV</b>) as an analyte. In silico ; Fluorescence ; Displacement (psychology) ; Chemistry ; Biochemistry ; Physics ; Optics ; Psychology Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials
Authors: Andrea Chacón-Calderón | Juan Miguel Zúñiga-Umaña | Claudia C. Villarreal | José Roberto Vega‐Baudrit | Reinaldo Pereira-Reyes | Yendry Regina Corrales-Ureña
Source: Frontiers in Chemistry (article, 2025-09-05)
Field: Materials Science — Materials Chemistry

Mangrove soil as a natural catalyst for green synthesis of silver nanoparticles Our findings suggest that mangrove soils naturally harbor nanoscale materials and act as efficient biogenic catalysts for metallic nanoparticle synthesis. The distinct properties of extracts from different mangrove regions influence both the synthesis kinetics and the biological activity of the nanoparticles. This underscores the ecological and biotechnological relevance of mangrove-derived materials. Catalysis ; Mangrove ; Nanoparticle ; Silver nanoparticle ; Natural (archaeology) ; Environmental chemistry ; Chemical engineering ; Chemistry ; Nanotechnology ; Materials science ; Environmental science ; Organic chemistry ; Ecology ; Geology ; Biology ; Engineering Nanoparticles: synthesis and applications ; Nanomaterials for catalytic reactions
Authors: Andekuba Andezai | Jude O. Iroh
Source: Preprints.org (preprint, 2025-01-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Review: Overview of Organic Cathode Materials in Lithium-Ion Batteries and Supercapacitors Organic materials have emerged as promising candidates for cathode materials in lithium-ion batteries and supercapacitors, offering unique properties and advantages over traditional inorganic counterparts. This review explores the utilization of organic compounds as cathode materials in energy storage devices, focusing on their application in lithium-ion batteries and supercapacitors. The review looks into various types of organic materials, organosulfur compounds, organic free radical compounds, organic carbonyl compounds, conducting polymers, and imine compounds. The advantages, challenges, and ongoing developments in this field are explored, highlighting the potential of organic cathode materials in achieving higher energy density, improved cycling stability, and environmental sustainability. The comprehensive analysis of organic cathode materials provides insights into their electrochemical performance, electrode reaction mechanisms, and design strategies such as molecular structure modification, hybridization with inorganic components, porous architectures, conductive additives, electrolyte optimization, binder selection, and electrode architecture for enhancing their efficiency and performance. Moreover, future research in the field of organic cathode materials should focus on addressing current limitations such as low energy density, cycling stability, poor rate capability, and potential safety concerns, and advancing their performance. This includes enhancing conductivity, optimizing synthesis methods, improving structural stability, addressing capacity fading and cycle life issues, exploring new redox-active organic compounds, and paving the way for the next generation of high-performance energy storage devices. Additionally, the development of scalable and cost-effective manufacturing processes for organic cathode materials is crucial for their commercial viability. Supercapacitor ; Lithium (medication) ; Cathode ; Materials science ; Ion ; Nanotechnology ; Engineering physics ; Chemistry ; Electrical engineering ; Engineering ; Electrode ; Electrochemistry ; Organic chemistry ; Psychology Supercapacitor Materials and Fabrication
Authors: Sarmistha Saha | Manish Taneja | Sarvesh Dubey | Alok Bharadwaj
Source: Exploration of Medicine (article, 2025-01-13)
Field: Materials Science — Biomaterials

Unlocking the potential of gold nanoparticles as a game-changer in the fight against hepatocellular carcinoma According to research, hepatocellular carcinoma (HCC), ranks third globally in terms of cause of death and is the fifth most common type of cancer overall. Finding novel means of diagnosis and treatment is therefore crucial. The use of nanotechnology as a cancer treatment has drawn a lot of interest recently. Despite significant advancements in detection and treatment, there is still a long way to go before this disease is completely eradicated. Therefore, it’s critical to find innovative ways to diagnose and cure conditions. In particular, the substantial inertness of metallic nanoparticles (NPs) and their nanoscale structures, which have sizes comparable to many biological molecules, attract a great deal of interest in the biomedical field. Due to their exceptional optical qualities, chemically modified surface through the attachment of various ligands, biocompatibility (bio-inertness and low cytotoxicity), and superior optical properties, gold NPs (AuNPs) have garnered significant interest. The current review discusses the efficiency of AuNPs in various fields, including imaging, immunotherapy, and photothermal therapy for treating liver cancer. Finally, this review summarized the limitations of the prospects of the AuNPs. Nanotechnology ; Photothermal therapy ; Hepatocellular carcinoma ; Colloidal gold ; Liver cancer ; Biocompatibility ; Cancer therapy ; Cancer ; Materials science ; Medicine ; Nanoparticle ; Cancer research ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Aoyang Pu | Woo‐Sup Sim | Yunseong Ji | Amal George Kurian | Jung‐Hwan Lee | Thi Van Anh Bui | Yimin Lai | Hyesoo Hwangbo | Huanhuan Sun | Hae‐Won Kim | Hun‐Jun Park | Kiwon Ban
Source: Bioactive Materials (article, 2025-07-20)
Field: Materials Science — Materials Chemistry

Single-atom Pt-doped ceria nanozymes mitigate myocardial ischemia reperfusion injury via cardiomyocyte-targeted uptake and suppression of reactive oxygen species The primary treatment for myocardial infarction (MI) is restoring blood flow to the obstructed coronary artery. However, this approach can paradoxically generate reactive oxygen species (ROS), leading to secondary ischemia-reperfusion (IR) injury. Multifunctional nanomaterials present a promising alternative for managing IR injury, offering benefits including cost-effectiveness, robust catalytic stability, and customizable properties that surpass traditional antioxidants. This study explores single-atom Pt-doped ceria nanozymes (Pt@CeNZ) with multi-enzyme mimetic functions facilitated by atomically dispersed Pt. The nanozymes effectively eliminate excess ROS in cardiomyocytes, thereby enhancing cell viability. Notably, Pt@CeNZ demonstrates significantly higher uptake in cardiomyocytes, underscoring its potential as a targeted nanotherapeutic for cardiac tissues. In vivo studies further confirm that Pt@CeNZ treatment substantially reduces infarct size and improves cardiac function following IR injury, without inducing long-term toxicity or inflammation. These findings position Pt@CeNZ as a highly promising heart-targeting nanotherapeutic with potential applications in the acute and long-term treatment of cardiac injuries. Reactive oxygen species ; Materials science ; Oxygen ; Doping ; Chemistry ; Biophysics ; Optoelectronics ; Biochemistry ; Biology Advanced Nanomaterials in Catalysis ; Cardiac Ischemia and Reperfusion ; Fuel Cells and Related Materials
Authors: E. Chen | Peng Chang | Haibin Xu | Hongxing Xu | Zhiqiang Zhu | Danfeng Shen
Source: International Journal of Nanomedicine (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Integrated Colorisensing Platform with Microneedles and Metal-Phenol Nanozymes for Point-of-Care Testings of Acetylcholinesterase Activity and Its Drug Inhibitor This study presents a successful proof-of-concept for an integrated microneedle and nanozyme-based Colorisensor. The platform provides a viable and promising alternative pathway for the early diagnosis of neurodegenerative diseases and the screening of therapeutic drugs, highlighting its significant potential for point-of-care applications. Drug ; Acetylcholinesterase ; Drug delivery ; Biocompatible material ; Drug discovery ; Pharmacokinetics Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Xuan Zhao | Jun Wan | Xuefeng Qv | Yonggang Yu | Huiyan Zhao
Source: Polymers (article, 2025-06-30)
Field: Materials Science — Materials Chemistry

Research on High-Performance Underwater-Curing Polymer Composites for Offshore Oil Riser Pipes In offshore oil and gas extraction, riser pipes serve as the first isolation barrier for wellbore integrity, playing a crucial role in ensuring operational safety. Protective coatings represent an effective measure for corrosion prevention in riser pipes. To address issues such as electrochemical corrosion and poor adhesion of existing coatings, this study developed an underwater-curing composite material based on a polyisobutylene (PIB) and butyl rubber (IIR) blend system. The material simultaneously exhibits high peel strength, low water absorption, and stability across a wide temperature range. First, the contradiction between material elasticity and strength was overcome through the synergistic effect of medium molecular weight PIB internal plasticization and IIR crosslinking networks. Second, stable peel strength across a wide temperature range (-45 °C to 80 °C) was achieved by utilizing the interfacial effects of nano-fillers. Subsequently, an innovative solvent-free two-component epoxy system was developed, combining medium molecular weight PIB internal plasticization, nano-silica hydrogen bond reinforcement, and latent curing agent regulation. This system achieves rapid surface drying within 30 min underwater and pull-off strength exceeding 3.5 MPa. Through systematic laboratory testing and field application experiments on offshore oil and gas well risers, the material's fundamental properties and operational performance were determined. Results indicate that the material exhibits a peel strength of 5 N/cm on offshore oil risers, significantly extending the service life of the riser pipes. This research provides theoretical foundation and technical support for improving the efficiency and reliability of repair processes for offshore oil riser pipes. Materials science ; Composite material ; Curing (chemistry) ; Epoxy ; Corrosion ; Submarine pipeline ; Service life ; Petroleum engineering ; Geotechnical engineering ; Engineering Corrosion Behavior and Inhibition ; Material Properties and Failure Mechanisms ; Offshore Engineering and Technologies
Authors: Erzsébet Várnagy | Gergő Tóth | Sándor Hosztafi | Máté Dobó | Ida Fejős | Szabolcs Béni
Source: Molecules (article, 2025-02-28)
Field: Chemistry — Spectroscopy

Chiral Recognition Mechanism of Benzyltetrahydroisoquinoline Alkaloids: Cyclodextrin-Mediated Capillary Electrophoresis, Chiral HPLC, and NMR Spectroscopy Study The tetrahydroisoquinoline skeleton is a pharmacologically significant core structure containing chiral centers, making enantiomeric separation crucial due to the potentially distinct biological effects of each enantiomer. In this study, laudanosine (<i>N</i>-methyl-tetrahydropapaverine) and its three derivatives (6'-bromo-laudanosine, norlaudanosine, and <i>N</i>-propyl-norlaudanosine) were synthesized and used as model compounds to investigate chiral recognition mechanisms. Screening over twenty cyclodextrins (CyDs) as chiral selectors in capillary electrophoresis (CE), we found anionic CyDs to be the most effective, with sulfated-γ-CyD (S-γ-CyD) achieving a maximum <i>R<sub>s</sub></i> of 10.5 for laudanosine. Notably, octakis-(6-deoxy-6-(2-carboxyethyl)-thio)-γ-CyD (sugammadex, SGX), heptakis-(2,3-<i>O</i>-diacetyl-6-<i>O</i>-sulfo)-β-CD (HDAS), heptakis-(2,3-<i>O</i>-dimethyl-6-<i>O</i>-sulfo)-β-CD (HDMS), and octakis-(2,3-<i>O</i>-dimethyl-6-<i>O</i>-sulfo)-γ-CD (ODMS) provided excellent enantioseparation for all four analytes. Following HPLC screening on CyD-based and polysaccharide-based chiral stationary phases, semi-preparative HPLC methods using amylose and cellulose-based columns were optimized to isolate enantiomers. The purity of the isolated enantiomers was evaluated by HPLC, and their configurations were confirmed via circular dichroism spectroscopy. The isolated enantiomers allowed us to explore enantiomer migration order reversals in CE and enantiomer elution order reversal in HPLC. Further <sup>1</sup>H and 2D ROESY NMR experiments provided atomic-level insights into enantioselective complex formation, confirming enantiomer differentiation by SGX and elucidating the inclusion complex structure, where the ring C immersion into the CyD cavity is prevalent. Enantiomer ; Chemistry ; High-performance liquid chromatography ; Capillary electrophoresis ; Cyclodextrin ; Chiral column chromatography ; Circular dichroism ; Nuclear magnetic resonance spectroscopy ; Chromatography ; Proton NMR ; Enantioselective synthesis ; Stereochemistry ; Organic chemistry Analytical Chemistry and Chromatography ; Microfluidic and Capillary Electrophoresis Applications ; Molecular spectroscopy and chirality
Authors: Yiming Song | Ting Wang | Mingjie Li | Xiaowei Dou | Sheng‐Chao Huang | Jian Zhao | Renqiang Yang | Chaoxu Li
Source: Small (article, 2025-06-17)
Field: Materials Science — Materials Chemistry

Tailoring Alkyl Side Chains of Benzotriazole‒Based Covalent Organic Frameworks for Enhancement of Photocatalytic CO <sub>2</sub> Reduction Various molecular design strategies of covalent organic frameworks (COFs) are employed to enable highly efficient and selective photocatalytic reduction of CO<sub>2</sub> for carbon neutralization and the production of value‒added chemical products. Instead of frequently‒studied variation in main frameworks of COFs, side‒chain engineering is adopted in this study to tailor their photocatalytic CO<sub>2</sub> reduction performance. Alkyl side chains with different lengths are attached to benzo[d][1,2,3]triazole‒based β‒ketoenamine COFs. It is found that alkyl side chains can alter the properties of the as‒synthesized COFs, including interlayer stacking, crystallinity, specific surface area, light harvesting and charge transfer behavior. After loading Co<sup>2+</sup>, COFs featuring a moderate ethyl side chain length exhibit superior photocatalytic performance compared to those with shorter methyl or longer butyl side chains. The CO production rate of 21.74 mmol g<sup>-1</sup> h<sup>-1</sup> and apparent quantum yield of 13.3% rank at the top among COFs-based photocatalytic systems. This study may not only help to get in‒depth understanding of photocatalytic mechanism of COFs, but also offer an alternative approach for achieving efficient and selective photocatalytic CO<sub>2</sub> reduction. Photocatalysis ; Alkyl ; Stacking ; Side chain ; Covalent bond ; Crystallinity ; Materials science ; Benzotriazole ; Combinatorial chemistry ; Chemical engineering ; Chemistry ; Photochemistry ; Nanotechnology ; Organic chemistry ; Polymer ; Catalysis ; Composite material Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Quentin Lemesre | Rémi Blieck | Antoine Sallustrau | Timothée D’Anfray | Frédéric Taran | Davide Audisio
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Base-promoted dynamic amide exchange: efficient access to isotopically enriched tertiary amides Amide isotope labeling is a crucial tool in drug discovery and development. However, current methods label the desired peptide bond in a multi-step fashion. This study presents novel strategies for amide isotope exchange through transamidation and amide metathesis. By optimizing reaction conditions and exploring substrate scope, we achieved direct labeling of both amine and carbonyl moieties. These findings pave the way for more sustainable isotope labeling technologies. Furthermore, preliminary examples of isotope-containing waste recycling demonstrate a crucial step towards a greener future for isotope chemistry. Amide ; Chemistry ; Base (topology) ; Tertiary care ; Combinatorial chemistry ; Stereochemistry ; Organic chemistry ; Medicine ; Mathematics ; Internal medicine Advanced Synthetic Organic Chemistry ; Chemical Reactions and Isotopes ; Asymmetric Hydrogenation and Catalysis
Authors: Nutan Rajendra Darandale | Morgan John | Stephen A. Moggach | Dinesh N. Sawant | George A. Koutsantonis | Reto Dorta | Scott G. Stewart
Source: ChemRxiv (preprint, 2025-07-09)
Field: Chemistry — Organic Chemistry

NHC/Phosphite Nickel (II) Precatalysts for the C-N Cross-Coupling of Aryl Chlorides under Mild Conditions We report the synthesis of three nickel complexes, based on Ni(NHC)[P(OR)3](Ar)Cl, which serve as precatalysts in the C(sp2)−N cross-coupling reaction between chlorobenzene and amines. Reactions involving secondary amines proceeded at room temperature and with low catalytic loading. While anilines and primary alkyl amines coupled at ambient temperatures, mild heating was necessary to achieve optimum yields. The Ni(NHC)[P(OR)3](Ar)Cl complexes are air-stable solids and are discrete precatalysts which operate without the need for an exogenous ligand. Preactivation studies suggest that a 14e- Ni(0) catalytically active species is formed and that both free and Ni-bound phosphite is pre-sent during the reaction. Aryl ; Nickel ; Catalysis ; Chemistry ; Coupling (piping) ; Coupling reaction ; Medicinal chemistry ; Polymer chemistry ; Organic chemistry ; Materials science ; Metallurgy ; Alkyl Catalytic Cross-Coupling Reactions ; Asymmetric Hydrogenation and Catalysis ; Microwave-Assisted Synthesis and Applications