jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Charles H. Laber | Austin Scircle | Zachary P. Mouton | Travis L. Thornell | Ashly Antony | Jonah W. Jurss | Matthew W. Glasscott
Source: ACS Materials Au (article, 2023-11-06)
Field: Chemistry — Electrochemistry

Tunable High Entropy Lanthanide Oxide Microspheres via Confined Electroprecipitation in Emulsion Droplet Scaffolds Emergent high entropy nanomaterials and their associated complex surface structure hold promise to unlock unique catalytic intermediate pathways and photonic/plasmonic interactions; however, synthetic strategies to tune the size, morphological, and stoichiometric properties remain limited. This work demonstrates a confined electro-precipitation mechanism for the formation of tunable, high-entropy oxide microspheres within emulsion droplet scaffolds. This mechanism complements a traditional confined electrodeposition mechanism and explains the previously observed anomalous formation of thermodynamically unfavorable particles, including lanthanide species. Mass transfer studies reveal that microsphere coverage over a surface may be tuned and modeled by using a time-dependent modified Levich equation. Additionally, morphological tuning was demonstrated as a function of experimental conditions, such as rotation rate and precursor concentration. Finally, extension to multimetallic species permitted the generation of high-entropy lanthanide oxide microspheres, which were confirmed to have equimolar stoichiometries via energy dispersive spectroscopy and inductively coupled plasma mass spectrometry. This novel method promises to generate tunable, complex oxides with applications to thermal catalysis, optics, and applications yet unknown. Lanthanide ; Oxide ; Stoichiometry ; Materials science ; Nanomaterials ; Catalysis ; Nanoparticle ; Nanotechnology ; Chemical engineering ; Chemical physics ; Chemistry ; Physical chemistry ; Ion ; Organic chemistry Electrochemical Analysis and Applications ; Electrocatalysts for Energy Conversion ; Quantum Dots Synthesis And Properties
Authors: Ncediwe Tsolekile | Sundararajan Parani | Thabang Calvin Lebepe | Rodney Maluleke | Vuyelwa Ncapayi | Mangaka C. Matoetoe | Sandile P. Songca | Oluwatobi S. Oluwafemi
Source: Organics (article, 2023-03-17)
Field: Materials Science — Materials Chemistry

Cell Viability Study of ZnCuInS/ZnS–TPPS4 Conjugates against Different Cell Lines as a Promising Fluorescent Probe In the present work, we report a simple synthetic strategy for fabricating ZnCuInS/ZnS–TPPS4 conjugates and study its cytotoxicity as a promising material for imaging and phototherapy applications. The quaternary QDs were synthesized using eco-friendly materials such as glutathione and water as a solvent, while the anionic 10,15,20-(4-sulphonatophenyl) porphyrin (TPPS4) was synthesized via the acidification of a meso-tetraphenylporphyrin precursor. Interest in TPPS4 results from its high-water dispersity, stability, and ability to generate singlet oxygen. Conjugation of ZnCuInS/ZnS QDs with TPPS4 was performed by titrating porphyrin with different amounts of ZnCuInS/ZnS QDs while keeping all other experimental parameters constant. Comparative analysis of the conjugate to the bare QDs and porphyrin revealed enhanced spectral and photophysical properties. Comparative cytotoxicity assays were performed for TPPS4 and ZnCuInS/ZnS–TPPS4 conjugates in BHK21, Hela, A549, Hek 293 and B16-F10 Nex 2 cell lines using the MTT cell viability assay. The results showed negligible in vitro cytotoxicity indicating the conjugate is an excellent and biocompatible candidate for imaging and phototherapy applications. Conjugate ; HeLa ; Porphyrin ; Cytotoxicity ; Materials science ; MTT assay ; Fluorescence ; Dispersity ; Viability assay ; Solvent ; Photodynamic therapy ; Singlet oxygen ; Combinatorial chemistry ; Nuclear chemistry ; Chemistry ; Photochemistry ; In vitro ; Polymer chemistry ; Organic chemistry ; Biochemistry ; Oxygen Quantum Dots Synthesis And Properties ; Nanoplatforms for cancer theranostics ; Luminescence and Fluorescent Materials
Authors: Zachary Fink | Xuefei Wu | Paul Y. Kim | Alex McGlasson | Maged Abdelsamie | Todd Emrick | Carolin M. Sutter‐Fella | Paul D. Ashby | Brett A. Helms | Thomas P. Russell
Source: Small (article, 2023-11-22)
Field: Materials Science — Materials Chemistry

Mixed Nanosphere Assemblies at a Liquid–Liquid Interface The in-plane packing of gold (Au), polystyrene (PS), and silica (SiO<sub>2</sub>) spherical nanoparticle (NP) mixtures at a water-oil interface is investigated in situ by UV-vis reflection spectroscopy. All NPs are functionalized with carboxylic acid such that they strongly interact with amine-functionalized ligands dissolved in an immiscible oil phase at the fluid interface. This interaction markedly increases the binding energy of these nanoparticle surfactants (NPSs). The separation distance between the Au NPSs and Au surface coverage are measured by the maximum plasmonic wavelength (λ<sub>max</sub>) and integrated intensities as the assemblies saturate for different concentrations of non-plasmonic (PS/SiO<sub>2</sub>) NPs. As the PS/SiO<sub>2</sub> content increases, the time to reach intimate Au NP contact also increases, resulting from their hindered mobility. λ<sub>max</sub> changes within the first few minutes of adsorption due to weak attractive inter-NP forces. Additionally, a sharper peak in the reflection spectrum at NP saturation reveals tighter Au NP packing for assemblies with intermediate non-plasmonic NP content. Grazing incidence small angle X-ray scattering (GISAXS) and scanning electron microscopy (SEM) measurements confirm a decrease in Au NP domain size for mixtures with larger non-plasmonic NP content. The results demonstrate a simple means to probe interfacial phase separation behavior using in situ spectroscopy as interfacial structures densify into jammed, phase-separated NP films. Materials science ; Grazing-incidence small-angle scattering ; Nanoparticle ; Plasmon ; Spectroscopy ; Phase (matter) ; Chemical engineering ; Scattering ; Analytical Chemistry (journal) ; Nanotechnology ; Small-angle neutron scattering ; Chemistry ; Chromatography ; Optics ; Organic chemistry ; Optoelectronics Pickering emulsions and particle stabilization ; Surfactants and Colloidal Systems ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Haitao Hong | Huimin Zhang | Shan Lin | Jeffrey A. Dhas | Binod Paudel | Shuai Xu | Shengru Chen | Ting Cui | Yiyan Fan | Dongke Rong | Qiao Jin | Zihua Zhu | Yingge Du | Scott A. Chambers | Chen Ge | Can Wang | Qinghua Zhang | Le Wang | Kuijuan Jin | Shuai Dong | Er‐Jia Guo
Source: arXiv (Cornell University) (preprint, 2023-11-28)
Field: Materials Science — Materials Chemistry

Metal-to-insulator transition in oxide semimetals by anion doping Oxide semimetals exhibiting both nontrivial topological characteristics stand as exemplary parent compounds and multiple degrees of freedom, offering great promise for the realization of novel electronic states. In this study, we present compelling evidence of profound structural and transport phase shifts in a recently uncovered oxide semimetal, SrNbO3, achieved through effective in-situ anion doping. Notably, a remarkable increase in resistivity of more than three orders of magnitude at room temperature is observed upon nitrogen-doping. The extent of electronic modulation in SrNbO3 is strongly correlated with the misfit strain, underscoring its phase instability to both chemical doping and crystallographic symmetry variations. Using first-principles calculations, we discern that elevating the level of nitrogen doping induces an upward shift in the conductive bands of SrNbO3-dNd. Consequently, a transition from a metallic state to an insulating state becomes apparent as the nitrogen concentration reaches a threshold of 1/3. This investigation sheds light on the potential of anion engineering in oxide semimetals, offering pathways for manipulating their physical properties. These insights hold promise for future applications that harness these materials for tailored functionalities. Semimetal ; Doping ; Oxide ; Materials science ; Condensed matter physics ; Phase transition ; Topological insulator ; Chemical physics ; Ion ; Metal ; Transition metal ; Electronic structure ; Nanotechnology ; Optoelectronics ; Chemistry ; Band gap ; Physics ; Catalysis ; Quantum mechanics Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials ; Ferroelectric and Negative Capacitance Devices
Authors: Sara A. Worku | Swaraj Sangram Sahoo | Matthew J. Allen | Sandeepan Maity
Source: ChemistrySelect (article, 2023-07-04)
Field: Materials Science — Materials Chemistry

Solution‐Phase Tuning of Emission of Divalent Europium Abstract The key to developing smart light‐emitting systems lies in the ability to tune luminescence with only modest changes in the chemical environment. Divalent europium‐based luminophores are unique materials that access emissions ranging from the blue to red regions of the visible spectrum. Early studies demonstrate the tunability of the emission of Eu II in solid‐state host lattices, and recent research has shown that altering counter anions, solvents, and ligands also enables tuning of the emission of Eu II . These findings are supported by numerous publications, and mechanistic studies shed light on the underlying theories behind the tunable emissions of Eu II . The purpose of this article is to present the most recent hypotheses and understanding regarding the effect of counter anions, solvents, and ligands on luminescence properties of Eu II based systems. Europium ; Luminescence ; Divalent ; Phase (matter) ; Photochemistry ; Materials science ; Chemical physics ; Chemistry ; Nanotechnology ; Inorganic chemistry ; Optoelectronics ; Organic chemistry Lanthanide and Transition Metal Complexes ; Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials
Authors: Maisa Vuorte | Maria Sammalkorpi
Source: Soft Matter (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

From microemulsion phase diagrams to hydrophilicity and hydration controlled adsorption: a dissipative particle dynamics modelling study of phospholipid assembly in bio oils We explore here the assembly and adsorption response of a ternary bio oil-phospholipid-water system <i>via</i> dissipative particle dynamics (DPD) simulations. The mesoscale, particle-based modelling approach allows the examination of large-scale self-assembly response of dipalmitoylphosphatidylcholine (DPPC) phospholipids in a model bio oil solvent (modelled by triglycerides) in the presence of varying amounts of water. We report the reverse micellar and microemulsion assembly phase diagrams of the ternary mixture, verifying the model against literature data. The results show water content vs phospholipid concentration dependent transitions in reverse micellar to network-like and various lamellar phases in bulk assembly. Examination of the DPPC adsorption to smooth, homogeneous adsorbate surfaces of differing polarity reveals that phospholipid adsorption response transitions between discrete assemblies on polyethylene-like hydrophobic to continuous coating on mica-like hydrophilic substrates as the function of phospholipid and water concentrations. The significance of the work is that the presented model for phospholipid assembly in apolar solvents is capable of predicting accurately large scale assembly response and morphology changes including adsorption response in terms of system variables. The presented parametrization and verification information of the model enable readily extending the approach to other systems. The work provides computational access for tuning lipid-based microemulsion systems and their adsorption. Dissipative particle dynamics ; Microemulsion ; Phospholipid ; Adsorption ; Ternary operation ; Dissipative system ; Phase (matter) ; Particle (ecology) ; Phase diagram ; Molecular dynamics ; Chemical engineering ; Ternary numeral system ; Materials science ; Chemical physics ; Thermodynamics ; Chemistry ; Physical chemistry ; Organic chemistry ; Physics ; Computational chemistry ; Pulmonary surfactant ; Membrane ; Computer science ; Polymer Surfactants and Colloidal Systems ; Lipid Membrane Structure and Behavior ; Food Chemistry and Fat Analysis
Authors: Adela F. Dobre | Anamaria Hanganu | Ioana Nicolau | Codruța C. Popescu | Anca Păun | Augustin M. Mădălan | Cristina Tablet | Anca G. Mirea | Mihaela Matache
Source: ChemPlusChem (article, 2023-10-26)
Field: Materials Science — Materials Chemistry

A Synthetic Approach for Oxadiazole‐Decorated Azobenzene Photoswitches This work reports the design and synthesis of novel oxadiazole-decorated azobenzenes, structural analysis of the resulting compounds and behavior under light irradiation. The synthetic strategy involved constructing amino functionalized heterocyclic key intermediates which were used either to yield electrophilic diazonium salts able to react with phenol moieties or as nucleophilic partners in Bayer-Mills reaction with nitroso-substituted derivatives. The amino-derived oxadiazole intermediates were investigated by absorption and emission spectroscopy providing blue and green emitted light. The target oxadiazole-decorated azobenzenes were structurally characterized, including solid-state structures, and subsequently used in irradiation experiments in order to take advantage of the azo group known to provide photoswitching abilities. We noticed quenching of the emissive properties in presence of the azo group; however, all compounds were very stable to repeated cycles of light irradiation. In addition, according to structural diversification we could obtain half-lives of the meta stable isomers within hours to hundreds of hours range. The experimental results were very well correlated with DFT calculations. Azobenzene ; Oxadiazole ; Chemistry ; Electrophile ; Photochemistry ; Nucleophilic substitution ; Nitroso ; Combinatorial chemistry ; Organic chemistry ; Molecule ; Catalysis Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials ; Radical Photochemical Reactions
Authors: Wankuson Chanasit | Kannika Bunkaew
Source: ASEAN Journal of Scientific and Technological Reports (article, 2023-06-28)
Field: Materials Science — Biomaterials

Inexpensive Production of Poly (3‑hydroxybutyrate‑co‑ 3‑hydroxyvalerate) from Bacillus megaterium PP-10 Using Pineapple Peel Waste Pineapple peel waste has recently been interested in being utilized as a low-cost carbon source in PHA biosynthesis to reduce the production cost of PHA. The production of copolymer Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) [PHBV] by the new Bacillus megaterium PP-10 was investigated. The bacteria were grown in a mixture of pineapple peel hydrolysate (PPH) and 3-hydroxyvalerate (3HV) precursor such as sodium propionate or sodium valerate at ratios of 1:1. Remarkably, the microbial growth and PHBV production in a mixture of PPH and sodium valerate exhibited higher biomass and higher PHA amount than that of sodium propionate, accounted about 2.40 ± 0.07 g/L of DCW and 0.71 ± 0.03 g/L of PHA concentration (PHA content of 29.6%DCW). Moreover, to control the 3HV molar fraction in PHBV, various sodium valerate concentration from 2 to 18 g/L was supplemented with PPH, and the result showed that the 3HV fraction increased linear trend with an increase in valerate concentration and was in the range between 6-35 mol%HV. In contrast, a maximum PHA concentration of 1.65 ± 0.04 g/L content (about 49%DCW) was obtained when B. megaterium PP-10 was cultivated in 18 g/L of total reducing sugar in PPH with 2 g/L of sodium valerate at 12 h of cultivation. Finally, the produced PHBV containing 20 mol%HV was further determined by some thermal properties and found that it possessed the melting and glass transition temperatures of 148°C and -10°C, respectively. Therefore, PHBV synthesized by B. megaterium PP-10 with various 3HV fractions was an excellent choice for biopolymer production. Valerate ; Bacillus megaterium ; Sodium propionate ; Chemistry ; Propionate ; Food science ; Nuclear chemistry ; Sodium ; Polyhydroxyalkanoates ; Sugar ; Bacteria ; Organic chemistry ; Fermentation ; Biology biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications ; Advanced Cellulose Research Studies
Authors: Aneta Rzewnicka | Jerzy A. Krysiak | Róża Pawłowska | Remigiusz Żurawiński
Source: International Journal of Molecular Sciences (article, 2023-06-01)
Field: Materials Science — Materials Chemistry

Visualization of Cellular Membranes in 2D and 3D Conditions Using a New Fluorescent Dithienothiophene S,S-Dioxide Derivative Cellular membranes play a key role in cell communication with the extracellular environment and neighboring cells. Any changes, including their composition, packing, physicochemical properties and formation of membrane protrusions may affect cells feature. Despite its great importance, tracking membrane changes in living cells is still a challenge. For investigation of processes related to tissue regeneration and cancer metastasis, such as the induction of epithelial-mesenchymal transition, increased cell motility, and blebbing, the possibility to conduct prolonged observation of membrane changes is beneficial, albeit difficult. A particular challenge is conducting this type of research under detachment conditions. In the current manuscript, a new dithienothiophene <i>S</i>,<i>S</i>-dioxide (DTTDO) derivative is presented as an effective dye for staining the membranes of living cells. The synthetic procedures, physicochemical properties, and biological activity of the new compound are presented herein. In addition to the labeling of the membranes in a monolayer culture, its usefulness for visualization of membranes under detachment conditions is also demonstrated. Obtained data have proven that a new DTTDO derivative may be used to stain membranes in various types of experimental procedures, from traditional 2D cell cultures to unanchored conditions. Moreover, due to the specific optical properties, the background signal is reduced and, thus, observation may be performed without washing. Membrane ; Cell biology ; Biophysics ; Cell ; Extracellular ; Regeneration (biology) ; Cell membrane ; Chemistry ; Staining ; Monolayer ; Intracellular ; Nanotechnology ; Materials science ; Biochemistry ; Biology ; Pathology ; Medicine Photochromic and Fluorescence Chemistry ; Click Chemistry and Applications ; Nanoplatforms for cancer theranostics
Authors: Weilun Li | Wenming Tong | Joanne Etheridge | Alison M. Funston
Source: Journal of Materials Chemistry C (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Copper assisted symmetry and size control of gold nanobars Gold nanocuboids provide a simple nanoparticle system for investigating nanocrystal growth mechanisms. Symmetry breaking in the presence of copper additive is caused by rapid deposition on {111} facets coupled with slow surface diffusion of Au on Cu. Materials science ; Nanocrystal ; Copper ; Symmetry (geometry) ; Diffusion ; Nanoparticle ; Surface diffusion ; Nanotechnology ; Deposition (geology) ; Chemical engineering ; Chemical physics ; Symmetry breaking ; Metallurgy ; Physical chemistry ; Thermodynamics ; Geometry Gold and Silver Nanoparticles Synthesis and Applications ; nanoparticles nucleation surface interactions ; Nanocluster Synthesis and Applications
Authors: А. В. Журавлев | Alejandro Cruz | Vladislav Aksenov | Alexey Golovanov | José M. Lluch | Hartmut Kühn | Àngels González‐Lafont | Igor Ivanov
Source: Molecules (article, 2023-07-14)
Field: Chemistry — Organic Chemistry

Different Structures—Similar Effect: Do Substituted 5-(4-Methoxyphenyl)-1H-indoles and 5-(4-Methoxyphenyl)-1H-imidazoles Represent a Common Pharmacophore for Substrate Selective Inhibition of Linoleate Oxygenase Activity of ALOX15? Mammalian 15-lipoxygenases (ALOX15) are lipid peroxidizing enzymes that exhibit variable functionality in different cancer and inflammation models. The pathophysiological role of linoleic acid- and arachidonic acid-derived ALOX15 metabolites rendered this enzyme a target for pharmacological research. Several indole and imidazole derivatives inhibit the catalytic activity of rabbit ALOX15 in a substrate-specific manner, but the molecular basis for this allosteric inhibition remains unclear. Here, we attempt to define a common pharmacophore, which is critical for this allosteric inhibition. We found that substituted imidazoles induce weaker inhibitory effects when compared with the indole derivatives. In silico docking studies and molecular dynamics simulations using a dimeric allosteric enzyme model, in which the inhibitor occupies the substrate-binding pocket of one monomer, whereas the substrate fatty acid is bound at the catalytic center of another monomer within the ALOX15 dimer, indicated that chemical modification of the core pharmacophore alters the enzyme-inhibitor interactions, inducing a reduced inhibitory potency. In our dimeric ALOX15 model, the structural differences induced by inhibitor binding are translated to the hydrophobic dimerization cluster and affect the structures of enzyme-substrate complexes. These data are of particular importance since substrate-specific inhibition may contribute to elucidation of the putative roles of ALOX15 metabolites derived from different polyunsaturated fatty acids in mammalian pathophysiology. Pharmacophore ; Chemistry ; Allosteric regulation ; Stereochemistry ; Enzyme ; Indole test ; Docking (animal) ; Arachidonic acid ; Substrate (aquarium) ; Biochemistry ; Biology Synthesis and Biological Evaluation ; Genomics, phytochemicals, and oxidative stress ; Bioactive Compounds and Antitumor Agents
Authors: Jiukai Fang | Shengnan Shi | Kaixiang Sun | Chengzhe Di | Yu-wen Lin | Yeqing Zhu | Shan Zhang | Yanpeng Shi
Source: Crystals (article, 2023-06-22)
Field: Materials Science — Polymers and Plastics

Thermally Tunable Structural Color Based on Patterned Ultra-Thin Asymmetric Fabry–Perot Cavity with Phase-Change Material Tunable structural color has gained significant attention due to its dynamic characteristics. However, conventional devices are usually regulated only in their color capabilities by structural parameters, restricting real-time dynamic applications. In this study, we propose an ultra-thin asymmetric Fabry–Perot cavity patterned with phase-change materials (MPMP). The reversible phase transition of VO2 induces changes in the MPMP’s optical performance, enabling color mode switching through temperature control and resulting in rapid color conversion and low-temperature regulation. By adjusting relevant structural parameters of the VO2 layer and nanodiscs, the color performance range can be tailored. Through numerical investigations, we demonstrate that MPMP can produce stable transformation of dynamic structural colors by harnessing the phase-change effect. Our research unveils new possibilities for applications such as anti-counterfeiting, bio/chemical sensing, and temperature sensing. Fabry–Pérot interferometer ; Materials science ; Structural coloration ; Structural change ; Phase change ; Optoelectronics ; Phase (matter) ; Phase-change material ; Thin film ; Layer (electronics) ; Optics ; Nanotechnology ; Engineering physics ; Wavelength ; Chemistry ; Photonic crystal Transition Metal Oxide Nanomaterials ; Liquid Crystal Research Advancements ; Metamaterials and Metasurfaces Applications