jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Fatimah Alghofaili | Hüseyin Tombuloğlu | M.A. Almessiere | Moneerah Alsaeed | Güzin Tombuloğlu | Sultan Akhtar | A. Baykal | Mehmet Veysi Çetiz | Halbay Turumtay
Source: Journal of the Saudi Society of Agricultural Sciences (article, 2025-11-14)
Field: Materials Science — Materials Chemistry

Synthesis and tracking of novel Mn and Se co-doped iron oxide nanoparticles: a promising nanofertilizer for plant growth and nutrient enrichment without genotoxic impact Abstract Novel nanoformulations are promising agents to enhance plant growth and nutritional value. On the other hand, their inclusion in agricultural systems and environmental effects should be monitored carefully. This study synthesizes a novel nanofertilizer containing plant essential and beneficial elements, namely manganese (Mn) and selenium (Se) co-doped iron (Fe) oxide nanocomposites (MnSeFe₂O₄ NCs) and clarifies its growth-promoting property, cytotoxicity, and genotoxicity on a common crop, barley ( Hordeum vulgare L.). To characterize the NCs, analytical procedures including XRD, EDX, TEM, SEM, and XPS were employed. Following this, barley sprouts were grown for three weeks in an aquacultural setup, containing varied NC doses: 0 (control), 50 to 400 mg L −1 . The study then assessed germination rates, various growth parameters, photosynthetic efficiency, and macro- and micro-element quantities. Microscopy techniques (i.e., confocal and scanning electron) and RAPD-PCR techniques were utilized to assess cellular, morphological, and genotoxic effects. Results demonstrated that MnSeFe₂O₄ NCs, crystal size of 36.3 nm, were taken up by the plant roots and translocated to the leaves, leading to a significant increase in Mn, Se, and Fe contents. The abundances of Ca, Mg, K, P, Zn, Ni, and Co were also remarkably improved over the control. Improvement in physiological and photosynthetic indices, such as germination rate (~ 25%), tissue growth (26–50%), chlorophyll, and carotenoid pigments (~ 50–75%), ETR, Fv/Fm, and Y(II) (10–27%) was evident upon NCs' inclusion. Importantly, the applied concentrations of the MnSeFe₂O₄ NCs did not cause genotoxicity or significant cellular and morphological changes in the barley plants, suggesting their safe application at the tested doses. These findings indicate that the MnSeFe 2 O 4 NCs are effective at enhancing plant growth and nutrient uptake, making them promising agents for use in nutrient-deficient agricultural systems and plant breeding programs. Germination ; Photosynthesis ; Genotoxicity ; Plant growth ; Carotenoid ; Manganese ; Nutrient ; Biological pigment ; Iron oxide Nanoparticles: synthesis and applications ; Plant Micronutrient Interactions and Effects ; Polymer-Based Agricultural Enhancements
Authors: Maryam Niazi | Iván Maisuls | Anne Lukas | Sascha A. Schäfer | Alex Oster | Luis E. Díaz | Dirk M. Guldi | Nikos L. Doltsinis | Cristian A. Strassert | Axel Klein
Source: Molecules (article, 2025-04-24)
Field: Chemistry — Organic Chemistry

Conformational Locking of the Geometry in Photoluminescent Cyclometalated N^C^N Ni(II) Complexes In our research aimed at replacing precious transition metals like platinum with abundant base metals such as nickel for efficient triplet emitters, we synthesized and studied Ni(II) complexes [Ni(L<sup>NHR</sup>)Cl]. These complexes containing the N^C^N cyclometalating dipyridyl-phenide ligand, equipped with pending H-bonding amine groups (NH(C₆H₅) (L<sup>NHPh</sup>) and NH(C₆H₅CH₂), ClL<sup>NHBn</sup>). Molecular structures determined from experimental X-ray diffractometry and density functional theory (DFT) calculations in the ground state showed marked deviation of the Cl<sup>-</sup> coligand (ancillary ligand) from the ideal planar coordination, with τ<sub>4</sub> values of 0.35 and 0.33, respectively, along with hydrogen bonding interactions of the ligand NH function with the Cl<sup>-</sup> coligand. The complexes exhibit long-wavelength absorption bands at approximately 425 nm in solution, with the experimental spectra being accurately reproduced through time-dependent density functional theory (TD-DFT) calculations. Vibrationally structured emission profiles and steady-state photoluminescence quantum yields of 30% for [Ni(L<sup>NHPh</sup>)Cl] and 40% for [Ni(L<sup>NHBn</sup>)Cl] (along with dual excited state lifetimes in the ns and in the ms range) were found in frozen 2-methyl-tetrahydrofuran (2MeTHF) glassy matrices at 77 K. Furthermore, within a poly(methyl methacrylate) matrix, the complexes showed emission bands centered at around 550 nm within a temperature range from 6 K to 300 K with lifetimes similar to 77 K. Based on TD-DFT potential scans along the metal-ligand (Ni-N) coordinate, we found that in a rigid environment that restricts the geometry to the Franck-Condon region, either the triplet <i>T</i><sub>5</sub> or the singlet <i>S</i><sub>4</sub> state could contribute to the photoluminescence. Density functional theory ; Chemistry ; Ligand (biochemistry) ; Photoluminescence ; Excited state ; Crystallography ; Nickel ; Time-dependent density functional theory ; Tetrahydrofuran ; Hydrogen bond ; Molecule ; Computational chemistry ; Materials science ; Atomic physics Organometallic Complex Synthesis and Catalysis ; Organic Light-Emitting Diodes Research ; Catalytic C–H Functionalization Methods
Authors: Abinaya Arunachalam | Elise Le Cornec | Julien Es Sayed | Marleen Kamperman
Source: Macromolecules (article, 2025-08-18)
Field: Materials Science — Biomaterials

Bioinspired Pressure Sensitive Adhesives Based on Natural Deep Eutectic Solvents Petroleum-based pressure sensitive adhesives (PSAs) have been ruling the industry with their rigorous standards for adhesion strength and durability. While petrochemical PSAs have been the center of attention for many years, there is growing interest in developing biobased alternatives. In this study, a bioinspired PSA was developed combining natural deep eutectic solvents (NaDES) and hyaluronic acid, a biosourced polysaccharide, which has not been previously explored in PSA formulations. By leveraging the unique properties of NaDES, these soft materials derive their adhesive properties primarily from hydrogen bonds and physical cross-links arising from polymer chain entanglements. We investigate the role of hyaluronic acid in creating an elastic network within the viscous hydrogen-bonded NaDES, demonstrating tunable mechanical properties that depend on molecular weight and concentration. In parallel, we predict the adhesive properties of these materials from small amplitude oscillatory shear measurements. While such predictions show strong correlation with our experimental results, it remains necessary to support these predictions with nonlinear tack measurements, as such frameworks may not fully capture the behavior of soft supramolecular adhesives. Overall, the bioinspired adhesives presented in this work demonstrate tunable adhesion properties, highlighting their potential for further development as sustainable PSAs. Eutectic system ; Adhesive ; Pressure sensitive ; Polymer science ; Materials science ; Chemistry ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Engineering biodegradable polymer synthesis and properties ; Polymer composites and self-healing ; Ionic liquids properties and applications
Authors: Fangqing Zhang | Chun Xu | Zichun Zhang | Zhuang Yang | Tao Peng | Wen Shao | Xiaoming Feng | Yangbin Liu
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade Small saturated carbocycles, such as cyclobutanes, with elevated three-dimensionality and rich C<sub>sp3</sub> centers are privileged scaffolds in naturally occurring molecules and drug discovery. It remains highly desirable and challenging to develop modular and straightforward strategies to craft densely substituted cyclobutanes. Herein, a photoredox-catalyzed radical strain-release/[3,3]-rearrangement cascade (SRRC) strategy for efficient synthesis of polysubstituted cyclobutanes is disclosed. This protocol operates with readily available α-silylamines as radical precursors, and strained bicyclo[1.1.0]butanes (BCBs) and cyclobutenes as radical acceptors, to access an array of structurally diverse 1,1,3- and 1,1,2-trisubstituted cyclobutanes containing a unique non-natural amino acid scaffold. Mechanistic studies reveal the pivotal reactivity of the silylketene acetal intermediate and the origin of diastereoselectivity. The power and utility of this method are illustrated with diverse transformations and preliminary anticancer assessment. Cyclobutanes ; Cascade ; Strain (injury) ; Chemistry ; Photoredox catalysis ; Stereochemistry ; Photochemistry ; Biology ; Cyclobutane ; Organic chemistry ; Catalysis ; Photocatalysis ; Chromatography Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Fluorine in Organic Chemistry
Authors: Diana Cholakova | Nevena Pagureva | Mariana Hristova | Slavka Tcholakova
Source: Journal of Colloid and Interface Science (article, 2025-04-15)
Field: Chemistry — Organic Chemistry

Salt-induced gelation of nonionic sucrose ester dispersions Salt (chemistry) ; Chemistry ; Sucrose ; Chemical engineering ; Polymer chemistry ; Organic chemistry Surfactants and Colloidal Systems ; Lipid Membrane Structure and Behavior ; Carbohydrate Chemistry and Synthesis
Authors: Mani Mani | Kevin Mariandry | Uma V. Ghorpade | Sankhadip Saha | Ravindra Kokate | Rishabh Mishra | Michael P. Nielsen | Richard D. Tilley | Bingqiao Xie | Mahesh P. Suryawanshi | Priyank V. Kumar
Source: Small (article, 2025-02-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmonic Hot‐Carrier Engineering at Bimetallic Nanoparticle/Semiconductor Interfaces: A Computational Perspective Plasmonic catalysis employs plasmonic metals such as Ag, Au, Cu, and Al, typically in combination with semiconductors, to drive diverse redox chemical reactions. These metals are good at harnessing sunlight, owing to their strong absorption cross-sections and tunable absorption peaks within the visible range of the solar spectrum. Unfortunately, facilitating plasmon-induced hot-carrier separation and subsequently harvesting them to improve catalytic efficiencies has been a problem at monometallic particle-semiconductor interfaces. To overcome this issue, this perspective focuses on recent computational methods and studies to discuss the advantages of designing bimetallic particles (core-shell or core-satellite), with a plasmonic-metal core and a less-plasmonic-metal shell on top, and coupling them with semiconductors. The aim of this approach is to favorably modify the interface between the plasmonic-metal particle and the semiconductor by introducing a thin section of a non-plasmonic metal in between. This approach is expected to enhance hot-carrier separation at the interface, preventing fast electron-hole recombination within the plasmonic-metal particle. Through a careful design of such bimetal/semiconductor configurations, by varying the size and composition of the non-plasmonic metal for example, and through appropriate utilization of quantum-mechanical modeling and experimental techniques, it is anticipated that plasmonic hot-carrier generation and separation processes can be studied and controlled in such systems, thereby enabling more-efficient plasmonic devices. Bimetallic strip ; Plasmon ; Nanoparticle ; Materials science ; Nanotechnology ; Plasmonic nanoparticles ; Perspective (graphical) ; Semiconductor ; Optoelectronics ; Computer science ; Artificial intelligence ; Metal Gold and Silver Nanoparticles Synthesis and Applications ; Copper-based nanomaterials and applications ; Plasmonic and Surface Plasmon Research
Authors: Anh T. Ngo | David Aguilà | João P. Vale | Semih Sevim | Michele Mattera | J. Díaz | Ramón Pons | Guillem Aromı́ | Bumjin Jang | Salvador Pané | Tiago Sotto Mayor | Mario Palacios‐Corella | Josep Puigmartí‐Luis
Source: Advanced Materials (article, 2025-06-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

On‐the‐Fly Synthesis of Freestanding Spin‐Crossover Architectures With Tunable Magnetic Properties Spin-crossover (SCO) molecular-based switches have shown promise across a range of applications since their discovery, including sensing, information storage, actuators, and displays. Yet limited processability remains a barrier to their real-world implementation, as traditional methods for integrating SCO materials into polymer matrices are often complex, expensive, and prone to producing uneven material distributions. Herein, we demonstrate how 3D flow-focusing chemistry enables unprecedented control for the direct fabrication of SCO composite materials, addressing key challenges in processability, scalability, and cost. By using a 3D coaxial flow-focusing microfluidic device, we simultaneously synthesize [Fe(Htrz)<sub>2</sub>(trz)](BF<sub>4</sub>) and achieve its homogeneous incorporation into alginate fibers in a continuous manner. The device's versatility allows for precise manipulation of the reaction-diffusion (RD) zone, resulting in SCO composite fibers with tunable physicochemical and magnetic properties. Additionally, we demonstrate the ability to isolate these fibers as freestanding architectures and highlight the potential for printing them with defined shapes. Finally, we show that the 3D control of the RD zone granted by continuous flow microfluidic devices offers precise spatiotemporal control over the distribution of SCO complexes within the fibers, effectively encoding SCO materials into them. SCO-encoded fibers can seamlessly combine adaptability and functionality, offering innovative solutions for application-specific customization. Materials science ; Spin crossover ; Nanotechnology ; Crossover ; Spin (aerodynamics) ; Condensed matter physics ; Engineering physics ; Mechanical engineering ; Computer science Magnetism in coordination complexes ; Magnetic properties of thin films ; Matrix Theory and Algorithms
Authors: Vitor H. N. Martins | Monize M. da Silva | Maria Karolina Ramos | Maria Helena Verdan | Eduardo G.C. Neiva | Aldo J. G. Zarbin | Victor H.R. Souza
Source: Nanoscale (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thin films based on nanocomposites of crumpled graphene fully decorated with Prussian blue: a new material for aqueous battery systems This study involves synthesizing thin films through an interfacial method, which relies on composites of Prussian blue nanoparticles and nanostructures derived from graphene, known as crumpled graphene. The resulting compounds were subjected to evaluation for potential applications in aqueous battery-type energy storage systems. Considering the importance of structure-property relationships and applications, the carbon nanostructures were previously processed to assess their morphological characteristics and electrochemical performance for the growth of Prussian blue nanocubes. To this end, the spray-pyrolysis method was employed, resulting in crumpled graphene infused with β-FeOOH and Fe<sub>2</sub>O<sub>3</sub> (β-iron(III) oxyhydroxide and iron (III) oxide) species. Composites of crumpled graphene and Prussian blue were synthesized through the electrodeposition method <i>via</i> cyclic voltammetry, which formed Prussian blue nanocubes on the surface of crumpled graphene with sizes ranging from 48 to 153 nm depending on the number of cycles. Specific capacity values varied based on the compound structure, with the highest recorded value of 50.4 mA h g<sup>-1</sup> at a rate of 500 mA g<sup>-1</sup> for the PB_10 composite achieved in an aqueous electrolyte of 0.1 mol L<sup>-1</sup> KCl <i>vs</i>. Ag|AgCl (3.0 mol L<sup>-1</sup> KCl). The PB_10 electrode was further studied using different electrochemical techniques and employed in a coin cell battery system, demonstrating a discharge capacity of 25.0 mA h g<sup>-1</sup> at 250 mA g<sup>-1</sup>. Additionally, the device retained 97% of its capacity after cycling at various current densities, highlighting its stability. Prussian blue ; Graphene ; Materials science ; Nanocomposite ; Battery (electricity) ; Nanotechnology ; Aqueous solution ; Chemical engineering ; Composite material ; Electrochemistry ; Electrode ; Chemistry ; Organic chemistry Supercapacitor Materials and Fabrication ; Advanced Materials and Mechanics
Authors: Richard Jay Warner | P. Blake St. Onge | Alyssa Shaw | Tiago Carneiro Gomes | Piumi Kulatunga | Xiaodan Gu | Simon Rondeau‐Gagné
Source: Polymer Chemistry (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

A versatile synthetic strategy for non-symmetric isoindigo polymers <i>via</i> modular sidechain engineering We introduce a streamlined synthesis of non-symmetric isoindigo-based polymers to enhance specificity and tunability. Structural and mechanical characterization was conducted to elucidate the effects of symmetry-breaking on key material properties. Modular design ; Polymer ; Combinatorial chemistry ; Synthetic polymer ; Materials science ; Chemistry ; Polymer chemistry ; Computer science ; Organic chemistry Synthesis and properties of polymers ; Synthesis and Biological Evaluation ; Cancer therapeutics and mechanisms
Authors: Jun Young Yang | Jing Lou | Wei Li | Xifeng Zhu | Lili Zhao | Hong Cen | Xiong‐Li Liu
Source: Chemistry - An Asian Journal (article, 2025-04-25)
Field: Chemistry — Organic Chemistry

Development of Eagle‐Shaped BPE/Phe‐2NO Ligands: Switch of Enantioselectivity in Friedel–Crafts Alkylation The development of single chiral source-derived ligands to fine-switch enantioselectivity has been a key aspect in asymmetric catalysis. Herein, in this study, using the same chiral source l-prolinamide as the starting material, we synthesize 14 new diphenyl ether bridged C<sub>2</sub>-symmetric rigid chiral tertiary amine-derived dioxide ligands (abberviated as BPE-2NO) and 9 new m-phenylene bridged C<sub>2</sub>-symmetric rigid chiral tertiary amine-derived dioxide ligands (abberviated as Phe-2NO); their effectiveness was demonstrated in the first switch of enantioselectivity in palladium(II)-catalyzed Friedel-Crafts alkylation. In the presence of palladium acetate as the Lewis acid, both enantiomers of indole derivatives can be prepared in good-to-excellent yields and enantioselectivities by using the single chiral source-derived Eagle-shaped BPE/Phe-2NO ligands. Control experiments and density functional theory calculations provide a rational explanation for the above observations. This study was the first switch of enantioselectivity in palladium(II)-catalyzed Friedel-Crafts alkylation by using the single chiral source-derived ligands. Chemistry ; Tsuji–Trost reaction ; Alkylation ; Friedel–Crafts reaction ; Enantioselective synthesis ; Palladium ; Catalysis ; Organic chemistry ; Combinatorial chemistry Axial and Atropisomeric Chirality Synthesis ; Catalytic C–H Functionalization Methods ; Asymmetric Synthesis and Catalysis
Authors: Ellis Kennedy | Stephanie M. Ribet | Ian Winter | Caitlin Kohnert | Yongqiang Wang | Karen C. Bustillo | Colin Ophus | Benjamin K. Derby
Source: Materials & Design (article, 2025-06-23)
Field: Materials Science — Materials Chemistry

Mapping strain and structural heterogeneities around bubbles in amorphous ionically conductive Bi2O3 While amorphous materials are often approximated to have a statistically homogeneous atomic structure, they frequently exhibit localized structural heterogeneity that challenges simplified models. This study uses 4D scanning transmission electron microscopy to investigate the strain and structural modifications around gas bubbles in amorphous Bi 2 O 3 induced by argon irradiation. We present a method for determining strain fields surrounding bubbles that can be used to measure the internal pressure of the gas. Compressive strain is observed around the cavities, with higher-order crystalline symmetries emerging near the cavity interfaces, suggesting paracrystalline ordering as a result of bubble coarsening. This ordering, along with a compressive strain gradient, indicates that gas bubbles induce significant localized changes in atomic packing. By analyzing strain fields with maximum compressive strains of 3%, we estimate a lower bound on the internal pressure of the bubbles at 2.5 GPa. These findings provide insight into the complex structural behavior of amorphous materials under stress, particularly in systems with gas inclusions, and offer new methods for probing the local atomic structure in disordered materials. Although considering structural heterogeneity in amorphous systems is non-trivial, these features have crucial impacts on material functionalities, such as mechanical strength, ionic conductivity, and electronic mobility. • 4D-STEM strain mapping reveals up to 3% compressive strain around Ar bubbles in ion-irradiated amorphous Bi 3 O 3 . • Paracrystalline ordering emerges near bubble interfaces due to atomic rearrangement. • Strain analysis enables pressure estimation, potentially providing an equation of state for Ar bubbles. • Structural heterogeneities in amorphous materials play a key role in governing bulk functional properties. Materials science ; Amorphous solid ; Strain (injury) ; Electrical conductor ; Composite material ; Crystallography Electronic and Structural Properties of Oxides ; Catalysis and Oxidation Reactions ; Machine Learning in Materials Science
Authors: Tobias Rex | Theresa Mößer | Raquel R. C. Vilela | Alexander Hepp | Carsten Grashoff | Cristian A. Strassert
Source: Chemistry - A European Journal (article, 2025-04-29)
Field: Chemistry — Spectroscopy

Supramolecular Assembly of Water‐Soluble Platinum(II) Complexes: From Emission Modulation to Cell Imaging in Specific Organelles The control of self-organized metal complexes presents advantages regarding the modulation of luminescence through dynamic assembly, rendering them promising for bioimaging. Herein, we demonstrate a strategy towards a series of amphiphilic Pt(II) complexes featuring bis-cyclometalated ligands as tetradentate luminophores, which exhibit enhanced water solubility and tuneable self-assembly properties. The resulting nanostructures can be precisely controlled by adjusting concentration and solvent composition, yielding switchable luminescence from red (i. e., excimer-based) to green (i. e., monomer-centred) and reversible (dis-)assembly of the aggregates. Cytotoxicity assays confirmed the innocuous nature of these luminophores at concentrations below 10 μM, while cellular uptake studies demonstrated effective internalization in both living and fixed cells. Using photoluminescence lifetime imaging micro(spectro)scopy, we determined that the complexes localized preferentially within lysosomes of living cells, while accumulating in the nuclei of fixed cells, with differences in photophysical behavior depending on whether the species were monomeric or excimeric in nature. These new findings provide insights into the systematic design of water-soluble Pt(II)-based luminophores with photophysical properties controlled by supramolecular interactions, underlining their potential for use in cellular imaging and diagnostics. Supramolecular chemistry ; Monomer ; Luminescence ; Internalization ; Amphiphile ; Photoluminescence ; Chemistry ; Self-assembly ; Nanotechnology ; Photochemistry ; Biophysics ; Combinatorial chemistry ; Materials science ; Copolymer ; Molecule ; Cell ; Organic chemistry ; Polymer ; Biochemistry ; Optoelectronics Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes ; Nanocluster Synthesis and Applications