jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yani Lu | Xiangyu Ma | Jinping Ren | Joo H. Kang | Yatao Wang
Source: Molecules (article, 2025-04-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Exploration of the Reduction Diffusion Temperature for Different Phases of Samarium–Cobalt Magnetic Particles We report a method for synthesizing different phases of samarium-cobalt particles through microwave-assisted combustion combined with high-temperature reduction and diffusion, and identify the optimal temperature for forming the 1:5 phase using this approach. Initially, the samarium-to-cobalt ratio in a nitrate solution was determined. Using urea as both a reductant and fuel, samarium-cobalt oxides were synthesized via microwave-assisted combustion. The main components of the oxides were confirmed to be SmCoO<sub>3</sub> and Co<sub>3</sub>O<sub>4</sub>. Subsequently, samarium-cobalt particles were synthesized at various diffusion temperatures. The results indicate that at 700 °C, the oxides were reduced to elemental Sm and Co. As the reduction temperature increased, the alloying of samarium and cobalt occurred, and the particle size gradually increased. At 900 °C, a pure 1:5 phase was formed, with particle sizes of approximately 800 nm, a coercivity of 35 kOe, and a maximum energy product of 14 MGOe. Based on the microwave-assisted combustion method, this study clarifies the transition temperatures of samarium-cobalt phases during the reduction and diffusion process, and further establishes the synthesis temperature for the 1:5 phase, providing new insights into the preparation and development of samarium-cobalt materials and potentially other rare earth materials. Samarium ; Cobalt ; Diffusion ; Materials science ; Magnetic nanoparticles ; Chemical engineering ; Nuclear magnetic resonance ; Chemistry ; Nanoparticle ; Metallurgy ; Thermodynamics ; Nanotechnology ; Inorganic chemistry ; Physics Magnetic Properties of Alloys ; Metallic Glasses and Amorphous Alloys ; Magnetic Properties and Synthesis of Ferrites
Authors: G. Revathy | L. Balakrishnan | K. Swethaa | K. S. Pugazhvadivu
Source: Digest Journal of Nanomaterials and Biostructures (article, 2025-10-20)
Field: Materials Science — Materials Chemistry

Influence of Ag doping on the structural, optical and elemental properties of CuO nanocrystals Copper (or cupric) oxide (CuO) is an eminent material which employs in disparate applications such as photodetectors, battery electrodes, memory devices, transistors and gas sensors. An effortless hydrothermal process was implemented to synthesis virgin CuO and CuO doped nanoparticles (NPs). Detailed investigation was carried out to analyze the ensue of doping of Ag within CuO NPs. The impact of Ag doping on structural, optical, morphological and elemental characteristics were analyzed using X-ray diffractometer (XRD), UV-Vis diffuse reflectance spectrometer (UV-Vis DRS), photoluminescence spectrometer (PL), field-emission scanning electron microscope (FESEM), energy dispersive spectrometer (EDAX) and X-ray photoelectron spectrometer (XPS). XRD confirmed the material’s crystalline nature by displaying the diffracted pattern of monoclinic phased CuO and the average crystallite size computed through Cauchy Lorentzian equation found to increase on Ag doping. The high absorbance and low reflectance of pristine and Ag doped CuO NPs obtained from UV-Vis DRS facilitates the material to well suit for visible photodetection application. The PL reveals the information about the defects and recombination efficiency of the material. The agglomerated flaky nature of the samples was determined through FESEM. The ratio of elements was analyzed through EDAX. The XPS survey spectrum confirmed the appearance of all required constituents of sample and core level spectrum illustrated their chemical states. Diffractometer ; Crystallite ; X-ray photoelectron spectroscopy ; Spectrometer ; Analytical Chemistry (journal) ; Doping ; Absorbance ; Photoluminescence Copper-based nanomaterials and applications ; ZnO doping and properties ; Quantum Dots Synthesis And Properties
Authors: Yusuf Kerem Bostan | Elanur Hut | Cem Sanga | Nadire Nayir | Ayşe Erol | Yue Wang | Fahrettin Sarcan
Source: Research Square (preprint, 2025-08-04)
Field: Materials Science — Materials Chemistry

Chemical Treatment-Induced Indirect-to-Direct Bandgap Transition in MoS₂: Impact on Excitonic Emission Materials science ; Optoelectronics ; Photoluminescence ; Doping ; Semiconductor ; Band gap ; Density functional theory ; Light-emitting diode ; Molybdenum disulfide ; Direct and indirect band gaps ; Spontaneous emission ; Transistor ; Nanotechnology ; Laser ; Chemistry ; Computational chemistry ; Physics ; Optics 2D Materials and Applications ; Advanced biosensing and bioanalysis techniques ; MXene and MAX Phase Materials
Authors: Retwik Parui | H. Roy | Niranjan Meher | Siddhartha Sankar Ghosh | Parameswar Krishnan Iyer
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron–nitrogen luminogens Exploring the effects of electron donor (D) and acceptor (A) functional groups in tuning the condensed state properties has been a challenging yet efficient approach to reveal promising materials for cutting-edge applications. Herein, a series of boron-nitrogen (BN) incorporated organic congeners (NBNMe2, NBOMe, NBF, NBCl, NBBr, NBCN, NBPy) appended with functional groups having various degrees of D/A characteristics were developed and their potential in controlling supramolecular assembly and condensed state luminescence features (>90 nm redshift in <i>λ</i> <sub>em,max</sub>) was explored. Despite the minor structural engineering in BN-based small molecules, they effectively modulated conformational orientation and molecular packing, leading to the directed growth of distinct and highly ordered self-assembly patterns, <i>i.e.</i>, nanosheets, nanospheres, nanowires, and nanorods. The structure-property correlation investigation also highlighted the time-dependent fluorescence enhancement for NBPy owing to morphological growth <i>via</i> the fusion of nanospheres into nanowire conformation. Further, these nano-architectures with distinct conformations were employed to examine the mechanistic aspects as well as the influence of morphologies in cellular uptake and imaging, where all the nano-aggregates exhibited lysosomal localization following multiple endocytosis pathways and the nanorods possessed the highest uptakes (CTCF<sub>4h/0.5h</sub> = 3.11) with respect to other conformations. The in-depth inspection of the structural impact in single crystal X-ray diffraction (SCXRD) analysis disclosed the decisive role of boron atoms and functional group tuning that built a conceptual correlation between the molecular architecture and their photophysical characteristics, supramolecular assembly, and cellular internalization process, offering key insights on the development of rapid and effective drug delivery techniques. Internalization ; Chemistry ; Boron ; Biophysics ; Modulation (music) ; Cell biology ; Biochemistry ; Biology ; Cell ; Organic chemistry ; Physics Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Nanoplatforms for cancer theranostics
Authors: Lee, Hyun Jung
Source: SPIRE - Sciences Po Institutional REpository (article, 2025-10-10)
Field: Chemistry — Organic Chemistry

Structure et rhéologie des émulsions à base de polymères dans un solvant commun stabilisées par des copolymères Cette thèse porte sur la stabilisation et le comportement rhéologique des émulsions formées dans un solvant commun, en particulier dans des systèmes où les tensioactifs traditionnels s’avèrent inefficaces en raison d’une faible tension interfaciale et d’une interface large. Deux types de copolymères ont été étudiés comme stabilisants alternatifs : le copolymère bis-hydrophobe PS-b-PMMA pour les émulsions organiques, et le copolymère bis-hydrophile dextrane-b-POEGMA pour les émulsions aqueuses. Dans les émulsions PS/PMMA dispersées dans le tetrahydrofuran, le PS-b-PMMA a démontré sa capacité à former des couches lamellaires interfaciales empêchant la coalescence. Des mesures rhéologiques dépendantes du temps, combinées au modèle de Palierne, ont permis d’estimer l’évolution du rayon moyen des gouttelettes au cours du vieillissement.Pour les émulsions dextrane/POE, les copolymères dextrane-POEGMA, synthétisés par polymérisation RAFT photo-induite, ont permis d’améliorer la stabilité en formant des agrégats qui s’adsorbent à l’interface des gouttelettes. Cette stabilisation dépend de la concentration en copolymère et de la masse molaire du POE. Cette étude met en évidence deux mécanismes distincts de stabilisation : la couverture lamellaire dans le système PS/PMMA, et la stabilisation par agrégation interfaciale dans le système dextrane/POE. La caractérisation rhéologique et la modélisation ont permis d’éclairer la relation entre la structure interne des émulsions et leur réponse mécanique lors du vieillissement et de l’écoulement. Alcohol addiction Surfactants and Colloidal Systems ; Hydrogels: synthesis, properties, applications ; Pickering emulsions and particle stabilization
Authors: I. Sajjad | U. Parveen | Hanan Al‐Ghamdi | Muhammad Yaseen | Sanam Saleem | Nasarullah Nasarullah
Source: Chalcogenide Letters (article, 2025-10-01)
Field: Materials Science — Materials Chemistry

The GGA-mBJ analysis of Ni modified SrS alloys for magnetic ordering and energy harvesting applications Herein, we employed modified Becke-Johson (mBJ) potential based first principles method to investigate the structural, optoelectronic, and magnetic properties of pure SrS and Ni doped Sr1-xNixS alloys at varying doping concentrations. Formation enthalpy analysis predicts thermodynamical stability of resultant alloys. Geometry optimization was performed in order to optimize the super cells to obtain ground state energy state. After confirming their stability, we investigated their magnetic, electronic, and optical attributes. Pure SrS exhibits an indirect band gap of 3.53 eV (which is in good agreement with experiments), while nickel doping in SrS results in lowering the bandgap to the range of visible light absorption. Ni doping also causes the induction of magnetic moment in crystal lattice, transforming the resultant alloys into dilute magnetic semiconductors. The density of state (DOS) analysis revealed that d orbital of dopant Ni is mainly responsible for this magnetic semiconducting character. The magnetization accounts for 2.0 μB (6.25% lightly doped Ni-SrS) up to ~8.0 μB (25% densely doped Ni-SrS). We report ample amount of absorbance of visible light for Ni-SrS systems, which is encouraging for future prospects. Moreover, for thermoelectric device applications, the figure of merit (ZT~0.75) plots for densely (25%) Ni doped SrS show higher values at elevated temperatures. Overall, results suggest that Sr1-xNixS alloys are promising candidate for applications in the field of thermoelectric generators, optical absorbers, solar cells, and spintronic devices. Doping ; Dopant ; Band gap ; Spintronics ; Magnetization ; Thermoelectric effect ; Figure of merit ; Wide-bandgap semiconductor ZnO doping and properties ; Magnetic and transport properties of perovskites and related materials ; Heusler alloys: electronic and magnetic properties
Authors: Nadia Dodge | Lawrence Chuk Sutardja | Silas Busck Mellor | Thiyagarajan Gnanasekaran | Lærke Marie Münter Lassen | Agnieszka Zygadlo Nielsen | Birger Lindberg Møller | Poul Erik Jensen
Source: Preprints.org (preprint, 2025-06-03)
Field: Chemistry — Analytical Chemistry

Heterologous Production of the Structurally Complex Diterpenoid Forskolin in Synechocystis sp. PCC. 6803 Photosynthetic organisms such as cyanobacteria have the potential for sustainable production of complex organic molecules due to their ability to absorb and use light as an energy source to fix CO2 and assimilate inorganic nutrients. Over the past decade, large efforts have gone into the metabolic engineering of cyanobacteria to produce various compounds such as alcohols, isoprenoids, biopolymers, recombinant proteins, as well as biofuels. Forskolin is a structurally complex labdane-type diterpenoid with eight chiral carbon atoms and is naturally produced in the root cork of the plant Plectranthus barbatus. Forskolin is a potent cAMP activator indicated as a pharmaceutical for a variety of diseases. In the plant, forskolin biosynthesis from geranylgeranyl diphosphate involves six enzymes: two terpene synthases, three cytochrome P450s, and a single acetyltransferase. In this work, we express all six biosynthetic genes from Plectranthus barbatus in Synechocystis sp. PCC. 6803 and demonstrate heterologous production of this complex diterpenoid in a phototroph cyanobacterium. Forskolin titers reached 25.0 ± 4.4 µg/L, all of which was secreted into the media. Synechocystis ; Terpenoid ; Heterologous ; Forskolin ; Production (economics) ; Chemistry ; Stereochemistry ; Biochemistry ; Gene ; In vitro ; Economics Chromatography in Natural Products ; Plant-based Medicinal Research ; Alkaloids: synthesis and pharmacology
Authors: Marco Pierau | Ronewa Nematswerani | Calvin Dunker | Frank Glorius | Anna Junker
Source: Archiv der Pharmazie (article, 2025-08-01)
Field: Chemistry — Organic Chemistry

Imidazolium‐Based Lipid Analogs as Lipofection Reagents Three imidazolium-based lipid analogs with varying degrees of saturation were synthesized and evaluated for their potential to enhance gene transfer in the 1321N1 and HEK-293FT cell lines. The analogs were incorporated into DPPC/DOPE-based liposomes and compared with two established transfection reagents, Lipofectamine3000 and FuGENE 4 K. Cytotoxicity assessments, as determined by lactate dehydrogenase assays, revealed a lower toxicity profile for the fully saturated compound 1 compared with its mono- (2) and di-unsaturated (3) counterparts. Notably, longer incubation times (24 h) amplified cytotoxic responses, with C<sub>17</sub>H<sub>31</sub>-IMeNMe<sub>3</sub> (3) displaying the highest cell damage. Despite elevated toxicity relative to commercial reagents, compound 3 successfully delivered plasmid DNA using a PiggyBac transposon system, producing stable transfected cell lines after extended culture periods. C<sub>15</sub>H<sub>31</sub>-IMeNMe<sub>3</sub> (1) achieved stable transfection but required longer colony expansion than the commercial controls, whereas C<sub>17</sub>H<sub>33</sub>-IMeNMe<sub>3</sub> (2) did not yield transfected lines under the conditions tested. Overall, these results suggest that structural modifications, particularly the length of the alkyl chain and the number of double bonds, impact both cytotoxicity and transfection efficiency. The findings underscore the importance of rational lipid design, as stronger membrane interactions can enhance uptake while potentially heightening adverse effects. This study informs future development of safer, more effective nonviral delivery vectors. Chemistry ; Reagent ; Biochemistry ; Stereochemistry ; Organic chemistry Click Chemistry and Applications ; Synthesis and Reactions of Organic Compounds ; Organic Chemistry Cycloaddition Reactions
Authors: Marie Auvray | Tanja Koenen | Olexandr Dybkov | Henning Urlaub | Gražvydas Lukinavičius
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-01-27)
Field: Chemistry — Organic Chemistry

Biocompatible sulfonium-based covalent probes for endogenous tubulin fluorescence nanoscopy in live and fixed cells Fluorescent probes enable the visualization of dynamic cellular processes with high precision, particularly when coupled with super-resolution imaging techniques that surpass the diffraction limit. Traditional methods include fluorescent protein fusion (e.g., GFP) or organic fluorophores linked to ligands targeting the protein of interest. However, these approaches often introduce functional disruptions or ligand-associated biological effects. Herein, we address these challenges by developing covalent fluorescent probes for endogenous tubulin, a critical cytoskeletal protein involved in processes such as cell movement, division, and biomolecule trafficking. Using well-known tubulin binder cabazitaxel and cell permeable fluorophore silicon-rhodamine-as a basis, we introduce a novel biocompatible cleavable linker containing a sulfonium center. This allowed the construction of the optimized probe<b>, 6-SiR-<i>o</i>-C</b> <sub><b>9</b></sub> <b>-CTX</b>, demonstrating excellent cell permeability, fluorogenic properties, and the ability to covalently label tubulin across various human cell lines. Importantly, the targeting moiety could be washed out while preserving tubulin staining, ensuring minimal disruption of tubulin function. This labeling technique is compatible with STED nanoscopy in both live and fixed cells, offering a powerful high-resolution imaging tool. Tubulin ; Fluorophore ; Bioorthogonal chemistry ; Biophysics ; Fluorescence ; Green fluorescent protein ; Chemistry ; Linker ; Microtubule ; Fusion protein ; Biomolecule ; Click chemistry ; Covalent bond ; Nanotechnology ; Cell biology ; Biochemistry ; Biology ; Materials science ; Combinatorial chemistry ; Computer science Click Chemistry and Applications ; Nanoplatforms for cancer theranostics ; Advanced biosensing and bioanalysis techniques
Authors: Dalma Gál | Tamás Holczbauer | Ilona Kovács | Zsolt Kelemen
Source: European Journal of Inorganic Chemistry (article, 2025-10-09)
Field: Chemistry — Organic Chemistry

Coordination Flexibility of the Bis[(di‐ <i>tert</i> ‐ Butylphosphino)methyl]aminophosphane Ligand: Synthesis, Characterization, and Theoretical Insights Complexation modes of bis[(di‐ tert ‐butylphosphino)methyl]aminophosphane containing PCPCP structural motif is investigated. The donor ability of each phosphane unit is determined by theoretical calculations and experimentally. Reactions of this ligand with cobalt and iron carbonyl precursors yielded various complexes, with different coordination modes. The three phosphorus donor atoms, connected via methylene bridges, allow for flexible coordination behavior, indeed mono‐, di‐ and tricoordinated complexes are isolated. Single‐crystal X‐ray diffraction and spectroscopic analysis confirmed the structural diversity of the resulting compounds. Coordination complex ; Methylene ; Cobalt ; Flexibility (engineering) ; Ligand (biochemistry) ; Diffraction ; Coordination number Organometallic Complex Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis ; Synthesis and characterization of novel inorganic/organometallic compounds
Authors: Kyung Hwan Choi | Dahoon Kim | Jinsu Kang | Chaeheon Woo | Xiaojie Zhang | Yeong Hyeop Kim | Yeong-Jin Kim | Hyeon‐Seok Bang | Kyung In Kim | Jeong Su Park | Seyoung Jang | Jongwha Chang | Hyung‐Suk Oh | Jae‐Hyun Lee | Hak Ki Yu | Jae‐Young Choi
Source: Journal of Materials Chemistry C (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

A co-solvent exfoliation strategy of quasi-1D electronic grade Ta<sub>2</sub>Pt<sub>3</sub>Se<sub>8</sub> for enhanced yields in non-toxic low boiling point solvents A co-solvent exfoliation strategy using an IPA/water mixture significantly enhances the exfoliation efficiency of quasi-1D Ta 2 Pt 3 Se 8 nanowires, achieving high-yield production and excellent FET performance ( μ FE = 6.76 cm 2 V −1 s −1 , I on / I off &gt; 10 3 ). Exfoliation joint ; Materials science ; Solvent ; Yield (engineering) ; Boiling point ; Nanotechnology ; Analytical Chemistry (journal) ; Nuclear chemistry ; Chemical engineering ; Organic chemistry ; Metallurgy ; Chemistry ; Graphene 2D Materials and Applications ; Ferroelectric and Negative Capacitance Devices ; MXene and MAX Phase Materials
Authors: Pravinraj Selvaraj | Mingyun Yuan | Cheng‐Kai Liu | Ko‐Ting Cheng
Source: Nanophotonics (article, 2025-12-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Light‐guided spectral sculpting in chiral azobenzene‐doped cholesteric liquid crystals for reconfigurable narrowband unpolarized light sources Precise manipulation of Bragg reflection in cholesteric liquid crystals (CLCs) is essential for advancing reconfigurable optics. However, existing photo-responsive material-doped CLC technologies that rely on single-wavelength photoisomerization encounter several challenges, including slow response times, limited tunability, inadequate spatial control, and instability caused by pitch variations due to diffusion. Here, we present a robust dual-wavelength photoisomerization method to simultaneously achieve <i>trans</i>-to-<i>cis</i> and <i>cis</i>-to-<i>trans</i> photoisomerization of chiral azobenzene-doped CLCs, which enables broadband, reversible, and spatially addressable control over the Bragg reflection spectrum. By employing counterpropagating laser beams at 405 nm and 532 nm, we precisely control the <i>trans</i>-<i>cis</i> isomerization dynamics of azobenzene chiral dopants, achieving spectral shifts exceeding 100 nm primarily through reversible modulation of the helical pitch of the CLCs. Furthermore, manipulating the intensity ratio and geometry of the excitation beams allows for tailored pitch gradients, reflection bandwidths, and central wavelengths with remarkable fidelity. Our approach enhances pitch boundaries and reduces molecular diffusion, facilitating the micrometer-scale patterning of optical textures, which surpasses traditional single-wavelength methods. Additionally, we present an innovative narrowband spectral filtering technique by sequentially transmitting light through pitch-selective CLC regions under circular polarization control. This reconfigurable manipulation strategy paves the way for developing programmable photonic systems, including adaptive optics, diffractive optics, and tunable displays. Photoisomerization ; Narrowband ; Azobenzene ; Reflection (computer programming) ; Femtosecond ; Bragg's law ; Photonics ; Liquid crystal on silicon ; Spatial light modulator Liquid Crystal Research Advancements ; Advanced Materials and Mechanics ; Metamaterials and Metasurfaces Applications