jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nishani T. Manamperi | Sachini W. Sivirathne | Alyssa M. Erlenbeck | S. Sameera Perera | Federico A. Rabuffetti
Source: Dalton Transactions (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Luminescence of nanocrystalline BaFCl codoped with Eu<sup>2+/3+</sup> and Tb<sup>3+</sup> BaFCl:Eu,Tb nanocrystals were synthesized <i>via</i> hot-injection thermolysis of metal chlorodifluoroacetates and their luminescence response characterized between 80 and 430 K. Though unintended, partial reduction of Eu<sup>3+</sup> to Eu<sup>2+</sup> occurred during the synthesis stage, leading to luminescent nanocrystals coactivated by Eu<sup>2+</sup>, Eu<sup>3+</sup>, and Tb<sup>3+</sup>. Their emission was dominated by Eu<sup>2+</sup>, specifically by radiative transitions 4f<sup>7</sup> (<sup>6</sup>P<sub>7/2</sub>) → 4f<sup>7</sup> (<sup>8</sup>S<sub>7/2</sub>) and 4f<sup>6</sup>5d<sup>1</sup> (lowest level) → 4f<sup>7</sup> (<sup>8</sup>S<sub>7/2</sub>). Owing to the thermal coupling between 4f<sup>7</sup> (<sup>6</sup>P<sub>7/2</sub>) and 4f<sup>6</sup>5d<sup>1</sup> (lowest) levels, line-like emission from this manifold at 80 K evolved into band-like emission at 430 K. The change in the shape of the emission profile of Eu<sup>2+</sup> was used to demonstrate that BaFCl:Eu,Tb may serve to realize bandshape luminescence thermometry as a more straightforward alternative to the usual ratiometric approach. The energy gap between 4f<sup>7</sup> (<sup>6</sup>P<sub>7/2</sub>) and 4f<sup>6</sup>5d<sup>1</sup> (lowest) levels and their radiative transition probabilities were estimated from time-resolved variable-temperature decays. Luminescence ; Nanocrystalline material ; Nanocrystal ; Persistent luminescence ; Materials science ; Doping ; Radiochemistry ; Nuclear chemistry ; Chemistry ; Nanotechnology ; Optoelectronics ; Thermoluminescence Luminescence Properties of Advanced Materials ; Electronic and Structural Properties of Oxides ; X-ray Diffraction in Crystallography
Authors: Qi Zhao | Suya Li | Jin He | Yuyan Man | Songyuan Li
Source: Materials (article, 2024-11-10)
Field: Materials Science — Materials Chemistry

Conceptual Examination of Pt Atom-Adorned WTe2 for Improved Adsorption and Identification of CO and C2H4 in Dissolved Gas Analysis The online monitoring of transformer insulation is crucial for ensuring power system stability and safety. Dissolved gas analysis (DGA), employing highly sensitive gas sensors to detect dissolved gas in transformer oil, offers a promising means to assess equipment insulation performance. Based on density functional theory (DFT), platinum modification of a WTe<sub>2</sub> monolayer was studied and the adsorption behavior of CO and C<sub>2</sub>H<sub>4</sub> on the Pt-WTe<sub>2</sub> monolayer was simulated. The results showed that the Pt atom could be firmly anchored to the W atoms in the WTe<sub>2</sub> monolayer, with a binding energy of -3.12 eV. The Pt-WTe<sub>2</sub> monolayer showed a trend toward chemical adsorption to CO and C<sub>2</sub>H<sub>4</sub> with adsorption energies of -2.46 and -1.88 eV, respectively, highlighting a stronger ability of Pt-WTe<sub>2</sub> to adsorb CO compared with C<sub>2</sub>H<sub>4</sub>. Analyses of the band structure (BS) and density of states (DOS) revealed altered electronic properties in the Pt-WTe<sub>2</sub> monolayer after gas adsorption. The bandgap decreased to 1.082 eV in the CO system and 1.084 eV in the C<sub>2</sub>H<sub>4</sub> system, indicating a stronger interaction of Pt-WTe<sub>2</sub> with CO, corroborated by the analysis of DOS. Moreover, the observed change in work function (WF) was more significant in CO systems, suggesting the potential of Pt-WTe<sub>2</sub> as a WF-based gas sensor for CO detection. This study unveils the gas-sensing potential of the Pt-WTe<sub>2</sub> monolayer for transformer status evaluation, paving the way for the development of gas sensor preparation for DGA. Adsorption ; Identification (biology) ; Atom (system on chip) ; Gas analysis ; Materials science ; Chemistry ; Inorganic chemistry ; Physical chemistry ; Environmental chemistry ; Engineering 2D Materials and Applications ; Gas Sensing Nanomaterials and Sensors ; Graphene research and applications
Authors: Valentina Tirelli | Felicia Grasso | Valeria Barreca | Deborah Polignano | Alessandra Gallinaro | Andrea Cara | Massimo Sargiacomo | Maria Luisa Fiani | Massimo Sanchez
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-07-19)
Field: Materials Science — Materials Chemistry

FLOW CYTOMETRIC PROCEDURES FOR DEEP CHARACTERIZATION OF NANOPARTICLES Abstract In recent years, there has been a notable increasing interest surrounding the identification and quantification of nanosized particles, including extracellular vesicles (EVs) and viruses. The challenge posed by the nano-sized dimension of these particles makes precise examination a significant undertaking. Among the different techniques for the accurate study of EVs, Flow cytometry (FCM) stands out as the ideal method. It is characterized by high sensitivity, low time consumption, non-destructive sampling, and high throughput. In this article, we propose the optimization of FCM procedures to identify, quantify, and purify EVs and virus like particles (VLPs). The protocol aims to reduce artifacts and errors in nano-sized particles counting, overall caused by the swarming effect. Different threshold strategies were compared to ensure result specificity. Additionally, the critical parameters to consider when using conventional FCM outside of the common experimental context of use have also been identified. Finally, fluorescent-EVs sorting protocol was also developed with highly reliable results using a conventional cell sorter. Characterization (materials science) ; Flow (mathematics) ; Nanoparticle ; Computer science ; Nanotechnology ; Materials science ; Mechanics ; Physics Nanoparticles: synthesis and applications ; Nanotechnology research and applications
Authors: Andrey V. Zaytsev | Petr Distler | Jan John | Andreas Wilden | Giuseppe Modolo | Mark T. Sims | Frank W. Lewis
Source: ChemistryOpen (article, 2024-11-26)
Field: Chemistry — Inorganic Chemistry

Evaluation of Multidentate Ligands Derived from Ethyl 1,2,4‐triazine‐3‐carboxylate Building Blocks as Potential An(III)‐Selective Extractants for Nuclear Reprocessing Bis-1,2,4-triazine ligands are amongst the most promising soft N-donor ligands for the partitioning of trivalent actinides from trivalent lanthanides; a key separation proposed in the future reprocessing of spent nuclear fuels. In an effort to improve the extraction properties of these benchmark ligands, we propose herein a general ligand design approach that is inspired by the field of drug discovery, and we apply it to a new class of ligands in which the bidentate 3-(2-pyridyl)-1,2,4-triazine unit of the benchmark ligands is replaced by a bidentate 1,2,4-triazine-3-carboxamide unit. A series of nine novel ligands were synthesized by reactions of readily available ethyl 1,2,4-triazine-3-carboxylate building blocks with different polyamine cores and evaluated for their ability to extract and separate Am(III) and Cm(III) from Eu(III). One of the reported ligands can co-extract Am(III) and Eu(III) from nitric acid into cyclohexanone, albeit with no selectivity between the metal ions. NMR titration experiments suggested that ligand 23 b formed a chiral 1 : 1 complex species with La(III) but not Lu(III) or Y(III), suggesting the coordination cavity of the ligand is sensitive to the size of the metal ion. The structures and thermodynamic parameters for the proposed complexes were further supported by DFT calculations. Denticity ; Chemistry ; Ligand (biochemistry) ; Triazine ; Combinatorial chemistry ; Carboxylate ; Titration ; Lanthanide ; Chelation ; Uranyl ; Metal ; Stereochemistry ; Organic chemistry ; Ion Radioactive element chemistry and processing ; Chemical Synthesis and Characterization ; Extraction and Separation Processes
Authors: Kai Jia | Yang-Yang Tu | Kam‐Hung Low | Jun Luo | Chao Jiang
Source: Advanced Synthesis & Catalysis (article, 2024-06-06)
Field: Chemistry — Organic Chemistry

Palladium‐Catalyzed Aerobic <i>γ</i>‐C(<i>sp</i><sup>3</sup>)−H Lactamization Using a NO<sub>x</sub>‐based Redox Mediator Abstract Herein, we report a Pd‐catalyzed aerobic lactamization of unactivated γ ‐C( sp 3 )−H bonds of aliphatic carboxylic acids and amino acids derivatives. The utilization of Pd(OAc) 2 as a catalyst, along with catalytic AgNO 2 as an electron transfer mediator, circumvents the need for stoichiometric oxidants and demonstrates significant practicality. Chemistry ; Palladium ; Catalysis ; Redox ; NOx ; Mediator ; Combinatorial chemistry ; Organic chemistry Catalytic C–H Functionalization Methods ; Oxidative Organic Chemistry Reactions ; Synthesis and Catalytic Reactions
Authors: Ya‐Sen Sun | Yi-Qing Jian | Shin-Tung Yang | Hsiao‐Fang Wang | Belda Amelia Junisu | Chun‐Yu Chen | Jhih‐Min Lin
Source: Langmuir (article, 2024-03-29)
Field: Materials Science — Materials Chemistry

Epitaxial Growth of Surface Perforations on Parallel Cylinders in Terraced Films of Block Copolymer/Homopolymer Blends Due to incommensurability between initial thickness and interdomain distance, thermal annealing inevitably produces relief surface terraces (islands and holes) of various morphologies in thin films of block copolymers. We have demonstrated three kinds of surface terraces in blend films: polygrain terraces with diffuse edges, polygrain terraces with step edges, and pseudo-monograin terraces with island coarsening. The three morphologies were obtained by three different thermal histories, respectively. The thermal histories were imposed on blend films, which were prepared by mixing a homopolystyrene (hPS, 6.1 kg/mol) with a weakly segregated, symmetry polystyrene-block poly(methyl methacrylate) (PS-<i>b</i>-PMMA, 42 kg/mol) followed by spin coating. At a given weight-fraction ratio of PS-<i>b</i>-PMMA/hPS = 75/25, the interior of the blend films forms parallel cylinders. Nevertheless, the surface of the blend films is always dominated by a skin layer of perforations, which epitaxially grow on top of parallel cylinders. By oxygen plasma etching at various time intervals to probe interior nanodomains, the epitaxial relationship between surface perforations and parallel cylinders has been identified by a scanning electron microscope. Materials science ; Copolymer ; Polystyrene ; Scanning electron microscope ; Epitaxy ; Composite material ; Annealing (glass) ; Layer (electronics) ; Thin film ; Methyl methacrylate ; Polymer chemistry ; Polymer ; Nanotechnology Block Copolymer Self-Assembly ; Rheology and Fluid Dynamics Studies ; Advanced Polymer Synthesis and Characterization
Authors: Ashraf Bahi el-din | Usama A. Fahmy
Source: International Journal of Pharmacology (article, 2024-08-29)
Field: Materials Science — Biomaterials

Alendronate Sodium Combined Glatiramer Acetate Nanocomplex Suppresses Pancreatic Cancer Cell Growth Background and Objective: Pancreatic cancer (PC) have increased significantly in recent years. Asymptotic manifestation, which can lead to tumor cells entering the metastatic stage before detection, is one of the main problems with PC. Therefore, the current investigation was conducted to give an effective treatment method, in which pancreatic cancer was suppressed using an optimized alendronate sodium (ALS) and glatiramer acetate (GA) (ALS-GA) nanoconjugate. Materials and Methods: To obtain an optimized ALS-GA nanoconjugates, Box-Behnken design was used. Design-Expert® Software Version 12 (Stat-Ease Inc., Minneapolis, Minnesota, United States) software was used while size and zeta potential was selected as responses. To evaluate the anticancer efficacy, analysis of IC50, Bcl-2, Bax, p53, etc., were tested. Results: The particle size of the optimized nanoconjugate was found to be 28.4±1.2 nm. The cytotoxicity in terms of IC50 for ALS-GA nanoconjugate was found to be (4.13± 0.2 μg/mL) enhanced than GA alone (12.6±0.2 μg/mL) or ALS alone (20.4±0.4 μg/mL). Besides, Bax, Bcl-2, p53 and caspase 3 estimation also showed superior apoptotic activity for ALS-GA nanoconjugate. However, as compared to ALS alone, GA alone, nanoconjugate showed increased expression of TNF-α and anticancer activity. Conclusion: These data revealed superiority of ALS-GA nanoconjugate over individual components, making it a novel approach for PC treatment. Glatiramer acetate ; Cancer research ; Chemistry ; Pancreatic cancer ; Sodium acetate ; Cell growth ; Pharmacology ; Internal medicine ; Cancer ; Medicine ; Biochemistry ; Chromatography Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Mohsen Moazzami Gudarzi | Sergey Slizovskiy | Boyang Mao | Endre Tóvári | Gergő Pintér | D.C.W. Sanderson | Maryana Asaad | Ying Xiang | Zhiyuan Wang | Jianqiang Guo | Ben F. Spencer | Alexandra A. Geim | Vladimir I. Fal’ko | Andrey V. Kretinin
Source: ACS Nano (preprint, 2024-08-08)
Field: Materials Science — Materials Chemistry

Ultimate Charge Transport Regimes in Doping-Controlled Graphene Laminates: Phonon-Assisted Processes Revealed by the Linear Magnetoresistance Understanding and controlling the electrical properties of solution-processed 2D materials is key to further printed electronics progress. Here, we demonstrate that the thermolysis of the aromatic intercalants utilized in nanosheet exfoliation for graphene laminates allows for high intrinsic mobility and the simultaneous control of doping type (<i>n</i>- and <i>p</i>-) and concentration over a wide range. We establish that the intraflake mobility is high by observing a linear magnetoresistance of such solution-processed graphene laminates and using it to devolve the interflake tunneling and intralayer magnetotransport. Consequently, we determine the temperature dependencies of the inter- and intralayer characteristics. The intraflake transport appears to be dominated by electron-phonon scattering processes at temperatures <i>T</i> > 20 K, while the interflake transport is governed by phonon-assisted tunneling. In particular, we identify the efficiency of phonon-assisted tunneling as the main limiting factor for electrical conductivity in graphene laminates at room temperature. We also demonstrate a thermoelectric sensitivity of around 50 μV·K<sup>-1</sup> in a solution-processed metal-free graphene-based thermocouple. Graphene ; Magnetoresistance ; Condensed matter physics ; Phonon ; Charge (physics) ; Doping ; Materials science ; Physics ; Nanotechnology ; Quantum mechanics ; Magnetic field Graphene research and applications ; Thermal properties of materials ; Surface and Thin Film Phenomena
Authors: Panpan Chen | Xue Shang | Tian Hang
Source: Science China Materials (article, 2024-03-08)
Field: Materials Science — Polymers and Plastics

Getting membrane with membrane approach: 3D polypyrrole nanotube array membranes and their applications Polypyrrole ; Materials science ; Membrane ; Nanotechnology ; Conductive polymer ; Polymer ; Polymerization ; Template ; Nanotube ; Electrical conductor ; Carbon nanotube ; Chemical engineering ; Composite material ; Chemistry Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Supercapacitor Materials and Fabrication
Authors: Ali A. Ali | Ghassan H. Abdul-Majeed
Source: Journal of Engineering (article, 2024-12-31)
Field: Chemistry — Analytical Chemistry

Modeling Asphaltene Precipitation-Part II: Comparative Study for Asphaltene Precipitation Curve Prediction Methods Asphaltenes' solubility in crude oils is frequently affected by temperature, pressure, and oil composition changes. This could lead to the precipitation and deposition of asphaltene in various parts of the total production system, which would cause a significant economic impact. Predicting the conditions of asphaltene precipitation will be very useful in two cases. In the first case, without the problem, it will be useful in specifying the optimum operating conditions of oil production operations. In the second case, with the problem occurring, the prediction model will be useful in knowing the deposition areas and their sizes. This study is an extension of the first part, in which the advanced versions of Peng-Robinson (APR78 EOS) and Soave-Redlich-Kwong (ASRK EOS) cubic equations of state and cubic-plus-association equations of state (CPA EOS) were compared in predicting asphaltene precipitation conditions by using Multiflash software. The prediction was made for live crude oil (API gravity = 24˚ API) from an Iraqi oil field at different temperatures. The required data for modeling are fluid compositional analysis, PVT experiment data, and flow assurance data, which were collected from a fluid analysis report. It was noticed that the agreement in prediction was very high between the ASRK EOS and the CPA EOS for all temperature values and diverged from the APR78 EOS model at low temperatures (T = 50 and 40 ˚C). This study demonstrates the impact of selecting the appropriate model on predicting asphaltene precipitation and its influence on future predictions of the asphaltene deposition problem. Asphaltene ; Precipitation ; Materials science ; Chemical engineering ; Meteorology ; Engineering ; Geography Petroleum Processing and Analysis
Authors: Domenic Pace | Reece Crocker | William J. Kendrick | Bolong Zhang | Wallace W. H. Wong | Binh Khanh | Timothy W. Schmidt | Thành Vinh Nguyễn
Source: Advanced Optical Materials (article, 2024-08-12)
Field: Materials Science — Materials Chemistry

Development of a Novel Solid State Organic Fluorophore: Excited‐State Aromatization‐Induced Structural Planarization Abstract Solid‐state emission is pivotal for the functionality of organic compounds in opto‐electronic applications. Yet, tailoring the emission characteristics of existing solid‐state emissive organic frameworks is a challenging task, primarily due to their intricate structure‐activity interplay. In this study, an innovative family of solid‐state luminogens, centered around the dibenzosuberenylidene core are introduced. These luminogens are characterized by a remarkable excited‐state aromatization‐induced structural planarization (ESAISP) behavior. This unique feature allows for the modulation of their fluorescence properties, including color and intensity, through simple structural alterations, opening new avenues in the development of organic advanced functional materials. Chemical-mechanical planarization ; Materials science ; Fluorophore ; Excited state ; Aromatization ; Solid-state ; Photochemistry ; State (computer science) ; Fluorescence ; Optoelectronics ; Nanotechnology ; Engineering physics ; Organic chemistry ; Optics ; Atomic physics ; Computer science ; Chemistry Luminescence and Fluorescent Materials ; Polydiacetylene-based materials and applications ; Synthesis and Properties of Aromatic Compounds
Authors: Yoseph Kim | Ji Hye Lee | Jaehoon Kim | Yeonsu Kim | Hyeonkwon Moon | Hyonseok Hwang | Junseong Lee | Jun Hui Park | Youngjo Kim | Myung Hwan Park
Source: Bulletin of the Korean Chemical Society (article, 2024-11-24)
Field: Chemistry — Physical and Theoretical Chemistry

Photophysical properties of 9,9‐dimethyl‐9,10‐dihydroacridine‐functionalized salen–indium complexes: Effects of structural rigidity and number of donor substituents Abstract Indium–salen complexes with electron‐donating 9,9‐dimethyl‐9,10‐dihydroacridine (DMAC) groups at positions 4 ( DMACIn1 ) and 4 and 6 ( DMACIn2 ) were synthesized and characterized to investigate the effect of the substituents number and structural rigidity on photophysical properties. The single crystal structure of DMACIn1 revealed highly twisted arrays (83–89°) between the DMAC groups and salen moieties and a nearly square‐pyramidal geometry around the indium center. Both complexes exhibited green fluorescence in toluene at 298 K and in rigid states (in toluene at 77 K and in a film), which originates from intramolecular charge transfer (ICT) transitions. The absolute photoluminescence quantum yields (PLQYs) of DMACIn1 and DMACIn2 were low in solution but high in the rigid states. The film‐state PLQY of DMACIn2 (59.5%) was more than five‐fold higher than that of DMACIn1 (11.1%). A similar result was observed in toluene at 77 K. These findings were rationalized in terms of the beneficial effects of structural rigidity and higher number of DMAC donors on ICT‐based radiative decay. The experimental results agreed with those of computational studies. Chemistry ; Rigidity (electromagnetism) ; Indium ; Medicinal chemistry ; Photochemistry ; Organic chemistry ; Materials science ; Composite material Photochemistry and Electron Transfer Studies ; Porphyrin and Phthalocyanine Chemistry ; Luminescence and Fluorescent Materials
Authors: Katarína Gáborová | Michal Hegedüs | Petr Levinský | František Mihok | Miloš Matvija | K. Knı́žek | Ondrej Milkovič | Dagmara Vatraľová | J. Hejtmánek | Karel Saksl
Source: Inorganics (article, 2024-12-21)
Field: Materials Science — Materials Chemistry

Thermoelectric Characteristics of β-Ag2Se1+x Prepared via a Combined Rapid Mechano-Thermal Approach This study investigates the thermoelectric properties of Se-rich β-Ag2Se synthesized via a mechanochemical method followed by spark plasma sintering (SPS) in less than 30 min of the total reaction time. Importantly, only a short 10 min milling process followed by appropriate SPS was enough to produce single-phase Ag2Se1+x samples with varying selenium content (where x = 0, 0.01, 0.02, 0.04). The introduction of excess selenium significantly influenced the thermoelectric performance, optimizing the carrier concentration during synthesis and resulting in substantial thermoelectric improvements. The sample with nominal composition Ag2Se1.01 exhibited a high dimensionless figure-of-merit (ZT) &gt;0.9 at 385 K, which is nearly six times higher than the reference sample (β-Ag2Se). Our findings bring valuable insight into the technology of optimization of thermoelectric characteristics of Se-rich β-Ag2Se, highlighting its potential for applications in thermoelectric devices. The study demonstrates the energetically efficient and environmental advantage of our mechanochemical route to produce Se-rich β-Ag2Se, providing a solvent-free and commercially viable alternative synthesis for energy (thermoelectric and solar energy). Thermoelectric effect ; Spark plasma sintering ; Materials science ; Thermoelectric materials ; Thermoelectric generator ; Nanotechnology ; Chemical engineering ; Sintering ; Metallurgy ; Thermodynamics ; Physics Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; Quantum Dots Synthesis And Properties
Authors: Kōta Yoshioka | Hiroki Iwasaki | Mako Hanaki | Saho Ito | Y. Iwamoto | Rio Ichihara | Hisanori Nambu
Source: Organic & Biomolecular Chemistry (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

A SmI<sub>2</sub>-mediated reductive cyclisation reaction using the trifluoroacetamide group as the radical precursor A samarium(II)-mediated reductive cyclisation reaction with the aminoketyl radical from the trifluoroacetamide group for synthesising 2-trifluoromethylindolines was developed. This reaction is the first example of using an acyclic amide group, which is considered difficult to react with SmI<sub>2</sub>, in a reductive cyclisation. Additionally, the conversion of the obtained product into 2-trifluoromethylindole was achieved. Amide ; Chemistry ; Reductive elimination ; Group (periodic table) ; Medicinal chemistry ; Carbonyl group ; Samarium ; Organic chemistry ; Catalysis Radical Photochemical Reactions ; Fluorine in Organic Chemistry ; Catalytic C–H Functionalization Methods