jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Johanna Garavito | Sofia Rueda Castellanos | Clara P. Peña‐Venegas | Diego A. Castellanos
Source: Preprints.org (preprint, 2026-02-09)
Field: Materials Science — Biomaterials

Development and Characterization of Reinforced Flexible Packaging Based on Amazonian Cassava Starch Through Flat Sheet Extrusion Thermoplastic starch (TPS) can be a sustainable alternative to petrochemical plastics for flexible packaging, especially in rainforests and tropical regions where native starch sources such as cassava are abundant. However, one problem preventing TPS packaging from widespread use is its susceptibility to moisture. This study evaluated TPS formulations based on Amazonian cassava starch reinforced with plantain leaf fibers, beeswax, and low-density polyethylene (LDPE) particles. The plastic compounds were extruded to obtain pellets and then films at 120-130 °C. The resulting films were then cut and heat-sealed to obtain flexible packaging. Different properties of the TPS packages were evaluated, such as mechanical strength, water vapor transmission (WVTR), color, infrared spectrum (FT-IR), and moisture adsorption. The results showed that the formulation with beeswax (2 % w/w), plantain leaves powder (1 % w/w), and LDPE powder (2 % w/w) had a higher tensile strength (5.99 MPa) and moisture barrier (WVTR = 366.6 g m-2 d-1) compared to the control formulation only with plasticizers (glycerol and water) but without reinforcements (0.48 MPa and 1486.6 g m-2 d-1, respectively). Films with only beeswax (4 % w/w) and plantain leaves powder (2.5 % w/w) had tensile strength = 5.53 MPa and WVTR = 716.8 g m-2 d-1, with higher moisture adsorption compared to the samples with LDPE. In both cases, homogeneous and heat-sealable bags were obtained. The reinforced TPS films can be used to reduce the environmental impact generated by single-use packaging applications such as food commercialization. Starch ; Extrusion ; Moisture ; Plasticizer ; Ultimate tensile strength ; Low-density polyethylene ; Thermoplastic ; Water content ; Polyethylene ; Food packaging Nanocomposite Films for Food Packaging ; Advanced Cellulose Research Studies ; Natural Fiber Reinforced Composites
Authors: Subir Panja | Tuấn Anh Trịnh | Ethan M. Warrington | Derek B. Hu | Leah C. Garman | Ilia A. Guzei | Jennifer M. Schomaker
Source: Chemical Science (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Silver-catalysed intermolecular benzylic-selective C–H amidation <i>via</i> nitrene transfer Transition metal-catalysed C-H functionalisation is a powerful strategy to upgrade simple hydrocarbons to versatile synthetic building blocks and is a useful tool for the late-stage functionalisation of complex molecules. In this study, we report an intermolecular, non-directed amidation of benzylic C-H bonds <i>via</i> a nitrene transfer pathway. This operationally simple method uses inexpensive silver-based catalysts, only a small excess of substrate and displays broad substrate scope that includes arenes, biaryls, heteroarenes, and complex molecules. Changes to the AgNTf<sub>2</sub> : <i>tert</i>-butylterpyridine ligand ratio furnish dimeric or trimeric Ag complexes as the proposed active catalysts; these show differing reactivity and selectivity dependent on the nature of the substrate's benzylic C-H bond. Nitrene ; Surface modification ; Intermolecular force ; Simple (philosophy) ; Transfer (computing) Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Radical Photochemical Reactions
Source: Journal of Bio Innovation (article, 2026-01-30)
Field: Chemistry — Organic Chemistry

MOLECULAR DOCKING-BASED INSIGHTS INTO PYRIMIDINE SCAFFOLD–DERIVED MOIETIES AS POTENTIAL ANTICANCER AGENTS Pyrimidine-based heterocycles represent a privileged class of scaffolds in anticancer drug discovery due to their structural similarity to endogenous nucleobases and their proven ability to modulate kinase-driven signaling pathways. In the present study, two series of pyrimidine scaffold–derived moieties, namely pyrimidinyl benzamides (8a–8t) and amide- functionalized pyrimidines (6a–6r), were designed, synthesized, and evaluated through moleculardocking studies against key oncogenic kinases, epidermal growth factor receptor (EGFR) and cyclin-dependent kinase-4 (CDK-4). Docking simulations revealed strong and consistentbindingaffinitiesofselectedderivativeswithintheATP-bindingpocketsofEGFR (PDB ID: 6LUD) and CDK-4 (PDB ID: 7SJ3). Hydrogen bonding, π–π stacking, and hydrophobicinteractionswereidentifiedastheprimarystabilizingforcesgoverningligand– receptor recognition. Electron-donating substituents such as methyl,methoxy, and hydroxy groupssignificantlyenhancedbindingaffinity,whereasbulkyelectron-withdrawinggroups resultedinreducedinteractions.Thedockingoutcomesstronglycorrelated withreportedin vitro cytotoxicity data, supporting the role of kinase inhibition as a plausible mechanism of action. Overall, the study highlights pyrimidine scaffolds as promising candidates for the development of targeted anticancer agents. Pyrimidine ; Cytotoxicity ; Epidermal growth factor receptor ; Docking (animal) ; Nucleobase ; In vitro ; Pyrimidine analogue ; Drug discovery ; Structure–activity relationship Synthesis and Reactivity of Heterocycles ; Cancer-related Molecular Pathways ; Click Chemistry and Applications
Authors: Tsubasa Inokuma | Maki Miyamoto | Kazuki Okada | Genki Nagai | Ken-ichi Yamada
Source: Molecules (article, 2026-01-27)
Field: Chemistry — Organic Chemistry

Asymmetric Mannich Reaction of α-(2-Nitrophenylsulfenyl)imino Acetamide: A Cyclization-Driven Process An enantioselective Mannich reaction of 2-(2-nitrophenylsulfenylimino)acetamide is described. Under the optimized conditions using proline, triethylamine, and diarylthiourea additives, the initially formed Mannich adduct undergoes irreversible cyclization to afford cyclic hemiaminal products in 21-58% yield, with diastereomeric ratios ranging from 53:47 to 83:17. Enantioselectivity reaches up to 97% ee. The presence of N-H functionality of the substrate is crucial for this cyclization; in its absence, the Mannich adduct undergoes facile decomposition. Subsequent reduction in this intermediate efficiently furnished the corresponding homoserine derivative. Adduct ; Enantioselective synthesis ; Diastereomer ; Hemiaminal ; Mannich reaction ; Substrate (aquarium) Synthesis and Catalytic Reactions ; Asymmetric Synthesis and Catalysis ; Synthesis and pharmacology of benzodiazepine derivatives
Authors: Maulik Chauhan | Sunil Padhiyar | Rupande N. Desai | Bhakti Patel | Purvi Shukla
Source: Nature Environment and Pollution Technology (article, 2026-02-23)
Field: Materials Science — Polymers and Plastics

Sustainable Reinforcement of Rubber Compound Using Recycled PET (Polyethylene Terephthalate): A Review Increasing environmental concerns over plastic waste and the depletion of non-renewable resources have intensified the search for sustainable alternatives in rubber reinforcement. This review comprehensively investigates the use of recycled polyethylene terephthalate (r-PET) as a green reinforcing agent in rubber compounds, replacing traditional fillers such as carbon black and silica. Experimental studies reveal that incorporating r-PET can improve tensile strength by up to 45%, enhance thermal stability by 20–30°C, and lead to energy savings of approximately 50 MJ.kg-1 compared to virgin PET. Notably, this review is the first to integrate mechanical performance analysis with life cycle assessment (LCA), providing a dual perspective on technical feasibility and environmental impacts. Processing methods, such as mechanical blending, chemical grafting, and surface modification, have been discussed to enhance r-PET compatibility with rubber matrices. Challenges such as poor dispersion, interfacial adhesion, and thermal degradation are critically analyzed, along with mitigation strategies. The findings demonstrate that r-PET not only offers performance and cost advantages but also supports circular economy initiatives by repurposing postconsumer PET waste into high-performance rubber composite. Future research directions are proposed, focusing on hybrid reinforcement systems, compatibility enhancement, and carbon-footprint reduction. Compatibility (geochemistry) ; Natural rubber ; Polyethylene terephthalate ; Life-cycle assessment ; Carbon black ; Reinforcement ; Sustainability ; Ultimate tensile strength Polymer Nanocomposites and Properties ; Polymer crystallization and properties ; Natural Fiber Reinforced Composites
Authors: Davide Lardani | Alessandra Ronchi | Xueqian Hu | Angelo Monguzzi | Christoph Weder
Source: ChemPhotoChem (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Thermally Activated Delayed Fluorescence Sensitization of Bis(phenylethynyl)benzenes for Visible‐to‐UV Upconversion Sensitized triplet–triplet annihilation can be utilized to upconvert low‐intensity visible (Vis) light into ultraviolet (UV) light, making it useful for applications powered by short‐wavelength sunlight. However, dye systems for this wavelength range are limited. Here, we report that Vis‐to‐UV upconversion (UC) is achieved with dye pairs that include the thermally activated delayed fluorescence (TADF) luminophores 2,3,5,6‐tetrakis(carbazol‐9‐yl)benzonitrile (4CzBN) or 2,4,5,6‐tetrakis(9H‐carbazol‐9‐yl) isophthalonitrile (4CzIPN) as sensitizer and bis(phenylethynyl)benzene (BPEB) or an alkoxylated BPEB derivative as emitter. The photophysical characterization of degassed toluene solutions of the four possible combinations of these dyes reveals efficient triplet energy transfer efficiencies exceeding 80%, upconverted UV emission centered at ca. 380 nm with an anti‐Stokes shift of up to 0.64 eV from the blue range of the optical spectrum, excitation threshold intensities as low as ca. 25 mW·cm −2 , and UC quantum yields up to 4.5%, depending on the dye combination. These results establish pairs of TADF sensitizers and BPEB emitters as viable candidates for Vis‐to‐UV (UC), broadening the molecular design space for next‐generation photonic and solar‐powered UV applications. Photon upconversion ; Fluorescence ; Ultraviolet ; Energy transfer ; Excitation ; Toluene ; Quantum efficiency ; Sensitization Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Photochemistry and Electron Transfer Studies
Authors: Motlan Motlan | Karya Sinulingga | Nurdin Siregar
Source:  (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

The Effect of Sb Doping Concentration on Optical Properties of ZnO:Sb Thin Films by Sol-Gel Spin Coating Method ZnO:Sb thin films with varying antimony (Sb) doping have been successfully synthesized using the so;-gel spin coating method. The results of XRD analysis of ZnO:Sb thin films with varying antimony (Sb) doping show a hexagonal wurtzite crystal structure with crystallite sizes decreasing from 16.27 to Wurtzite crystal structure ; Thin film ; Antimony ; Spin coating ; Doping ; Crystallite ZnO doping and properties ; Chemical and Physical Properties of Materials ; Chalcogenide Semiconductor Thin Films
Authors: Zeyu Zhang | Xuchen Yang
Source: Pakistan Journal of Pharmaceutical Sciences (article, 2026-02-11)
Field: Chemistry — Organic Chemistry

Design And Synthesis Of BAP-1 Inhibitors This study provides feasible synthetic routes for novel BAP1 inhibitors with optimized structures, laying a foundation for subsequent biological activity evaluations and offering new prospects for targeted tumor therapy, especially for small cell lung cancer. Biological activity ; Drug discovery ; Cell ; Cell culture Synthesis and Reactivity of Heterocycles ; Pharmacological Receptor Mechanisms and Effects ; Peptidase Inhibition and Analysis
Authors: M. A. Salim | Ahmed F. Mabied | A. M. Moustafa | Ayat Hassanien | H. M. Hashem | Mohamed R. Balboul
Source: Journal of Materials Science Materials in Electronics (article, 2026-03-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tuning the structure, magnetization, and magnetoresistance of LSMO nanoparticles via sol–gel calcination Abstract This study focuses on the calcination temperature, between 600 and 1050 °C, used to prepare La 0.67 Sr 0.33 MnO 3 (LSMO) nanoparticles via a non-aqueous sol–gel method, with respect to their structure, magnetism, and magnetotransport properties. The X-ray diffraction and Rietveld refinement indicate phase-pure nanoparticles in a rhombohedral ( R -3 c ) structure. Moreover, they evidence the rise of the average size of crystallites from 31.9 to 111.4 nm with the lowest microstrain at about 900 °C. Magnetic measurements demonstrate that reduced surface disorder at increased temperatures enhances the saturation magnetization ( M ₛ) sixfold, increasing from 6.86 to 38.14 emu/g with the calcination temperature increase. However, the data indicate the transition in magnetic behavior: coercivity and remanence increase up to a maximum at 900 °C and then decline, marking the transition between single-domain and multi-domain behavior. Room-temperature magnetoresistance measurements identify an inverse dependence of the particle size on the magnitude of low-field magnetoresistance (LFMR)—larger particles have lower LFMR. The sample calcined at 600 °C, where intergranular spin-polarized tunneling occurs across many grain boundaries, has a very large LFMR of more than 95%. In contrast, for the 1050 °C sample, larger grain size allows better magnetic coherence and fewer boundary regions and, hence, it has a much weaker MR of about 40%. The findings show that calcination temperature is the main tuning knob for LSMO nanoparticles; it allows a predetermined balance between hard magnetic characteristics for magnetic components with high sensitivity in magnetoresistive devices for sensor applications. Magnetoresistance ; Remanence ; Coercivity ; Crystallite ; Calcination ; Grain size ; Rietveld refinement ; Grain boundary ; Nanoparticle Magnetic and transport properties of perovskites and related materials ; Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides
Authors: Alejandro Cervantes Reyes | Ricardo Malpica-Calderón | Hugo Valdes | David Morales-Morales
Source: Dalton Transactions (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Purine-derived N-heterocyclic carbene metal complexes: catalytic applications and reactivity Caffeine and other purine bases are naturally occurring, inexpensive, and readily available heterocycles composed of a fused imidazole-pyrimidine framework, whose five-membered imidazole core corresponds to an N-heterocyclic carbene (NHC) precursor. These features make purine scaffolds ideal precursors for the design of metal-NHC ligands that combine biological relevance, structural diversity, and tunable electronic properties. Over the past two decades (2004-2025), an expanding family of purine-derived NHC complexes has been developed across the periodic table, including those of Ru, Ir, Rh, Ni, Pd, Pt, Cu, Ag and Au, revealing distinctive coordination modes, redox behaviors, and catalytic activities. This review provides a comprehensive overview of their synthetic strategies, structural features, and catalytic applications, emphasizing how the intrinsic anisotropy and multifunctionality of the purine framework enable unique metal-ligand interactions and reactivity patterns relevant to sustainable catalysis, photophysics, and bio-organometallic chemistry. Carbene ; Reactivity (psychology) ; Catalysis ; Metal ; Characterization (materials science) N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Cyclopropane Reaction Mechanisms
Authors: Yosr Turki | Bochra Bejaoui | Ali Benali | Mohamed Mastouri | Noureddine Raouafi | Youssef Arfaoui
Source: Materials Advances (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Bulk charge-transfer coupling and tunable dielectric relaxation in benzoquinone-doped nematic liquid crystals A supramolecular doping strategy reveals a sharp kinetic crossover: 1 wt% BQ acts as an energetic modulator enabling soft-touch transport E a ∼ 25 meV, whereas 2 wt% triggers aggregation-induced interfacial trapping. Liquid crystal ; Relaxation (psychology) ; Coupling (piping) ; Dielectric ; Kinetic energy ; Doping Liquid Crystal Research Advancements ; Nonlinear Photonic Systems ; Electrowetting and Microfluidic Technologies
Authors: A. Yu. Zyuzin
Source: ArXiv.org (article, 2026-03-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Phase stiffness in flat-band superconductors with nodal pairing We study Bogoliubov quasiparticle spectrum in a two-band system with momentum-dependent hybridization between a dispersive band and a flat band. The interplay between the interband mixing and intraband Cooper pairing may give rise to a parabolic node in the spectrum of flat band quasiparticles, resulting in a quadratic temperature dependence of the superconducting phase stiffness at low temperatures. We also comment that nonmagnetic disorder induces Machida-Shibata deep subgap resonances suggesting the sensitivity of flat-band superconductivity to disorder. Pairing ; Superconductivity ; Quasiparticle ; Phase (matter) ; Cooper pair ; Spectrum (functional analysis) ; Mixing (physics) ; Quadratic equation Iron-based superconductors research ; Physics of Superconductivity and Magnetism ; Superconductivity in MgB2 and Alloys
Authors: Matteo Leone | Maurizio Fagnoni
Source: Green Chemistry (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Turning light into carbinols: a metal-free radical strategy for pyridine based triaryl scaffolds We propose a photoinduced synthesis of Triaryl Carbinols, achieved under mild and metal-free conditions via radical addition of benzophenones to cyanopyridines. Pyridine ; Radical ; Catalysis ; Visible spectrum ; Yield (engineering) Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions
Authors: Iqra Irfan | Kashif Mushtaq | Rahul Agrawal | Breogán Pato-Doldán
Source:  (article, 2026-03-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

CVD-Synthesized Gallium-Oxide Thin Films as Protective Coating for Energy Storage Applications The rapid growth of renewable energy integration, particularly Concentrated Solar Power (CSP), has increased demand for reliable and efficient thermal energy storage (TES) systems. Unlike photovoltaics, CSP can provide dispatchable electricity using molten salt, typically an eutectic Nano₃–KNO₃ mixture, due to its broad operating range (200–600 °C), low cost, and scalability. However, long-term operation leads to corrosion and degradation of structural alloys such as stainless steels, reducing component lifespan and increasing maintenance costs. Protective coating materials with high chemical and thermal stability are therefore essential for material compatibility and TES durability. Gallium oxide (Ga₂O₃) emerged as an interesting candidate because of its wide band gap ranging from 4.8 to 5.3 eV, high breakdown field ca. 8 MVcm-1, offering exceptional thermal and chemical stability, even at elevated temperature ca. 1800 °C, which can offer durable, effective, and efficient heat-resistant materials for TES applications. In this presented work, thin films of Ga₂O₃ are synthesized with an apparent roughness of ~1.8 nm as determined from AFM step-height profiles (mean of five measurements; ±0.4 nm) on sapphire substrate using a simple three-zone chemical vapor deposition (CVD) system, as it is cost-effective, scalable, and produces high-quality films. The preheating strategy strongly influenced surface roughness, with moderate preheating (500 °C) yielding smoother films than high-temperature preheating (750 °C). CVD enables precise control of film thickness, crystallinity, and microstructure, underscoring its potential to produce Ga₂O₃ barrier layers that resist molten-salt infiltration and thermal stress. The study provides a controlled growth process and microstructural optimization of Ga₂O₃ films, which will serve as a basis for future corrosion studies and durability testing of functional performance, which are part of the ongoing research. It is also focused on single- and multilayer architectures and protective overlayers to further enhance the corrosion resistance and interfacial stability of TES systems under harsh molten-salt cycling. Thin film ; Coating ; Eutectic system ; Chemical vapor deposition ; Oxide ; Energy storage ; Resist ; Thermal energy storage Ga2O3 and related materials ; Photovoltaic Systems and Sustainability ; solar cell performance optimization
Authors: Xiaohan Song | Ye Lü | Xinlong Guo | Yanan Zheng | He Huang
Source: Science Advances (article, 2026-02-20)
Field: Chemistry — Organic Chemistry

Covalent capture and genetic code expansion enables chemoproteomic profiling and functional characterization of lysine acetoacetylation Lysine acetoacetylation (Kacac) driven by metabolite acetoacetic acid represents a molecular mechanism by which ketone bodies regulate cellular functions beyond energy provision. However, comprehensive characterization of Kacac has been hindered by technical limitations in detection and functional validation. Here, we report an integrated platform for systematic Kacac investigation. Exploiting the unique reactive ketone carbonyl moiety, we developed Aca-Bio, a hydroxylamine-based probe enabling specific enrichment of Kacac peptides through ketone-targeted covalent labeling and pH-controlled reversible enrichment. Application to mouse liver identified 260 Kacac sites across 125 proteins, revealing notable enrichment in metabolic pathways. Concurrently, we established a genetic code expansion system enabling site-specific Kacac incorporation. Using this approach, we demonstrated that K310acac in HMGCS2 substantially attenuates catalytic activity through impaired substrate binding. This dual-platform approach establishes a comprehensive framework for global profiling and site-specific functional characterization of Kacac, thereby facilitating systematic exploration of its physiological roles and pathological implications. Lysine ; Genetic code ; Metabolite profiling ; Covalent bond ; Profiling (computer programming) ; Ketone ; Metabolite ; Characterization (materials science) Click Chemistry and Applications ; Peptidase Inhibition and Analysis ; Chemical Synthesis and Analysis