jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Titilope John Jayeoye | Roselina Panghiyangani | Sudarshan Singh | Nongnuj Muangsin
Source: Nanomaterials (article, 2024-12-07)
Field: Materials Science — Materials Chemistry

Quercetin Reduced and Stabilized Gold Nanoparticle/Al3+: A Rapid, Sensitive Optical Detection Nanoplatform for Fluoride Ion In this contribution, facile synthesis of gold nanoparticles (AuNPs) at ambient conditions is reported based on the use of the polyphenolic compound quercetin (QT) as the reducing and stabilizing agent at room temperature (RT). Under alkali-induced pH adjustment of QT solution and stirring conditions at RT, QT could quickly reduce gold salt (Au<sup>3+</sup>) into its nanoparticle form (Au<sup>0</sup>), resulting in the formation of a sparkling red color colloidal solution (AuNPs) with an absorption maximum at 520 nm. Further, Fourier transform infrared spectroscopy (FTIR) was employed to showcase the role of QT in the nanomaterial's synthesis process. The formed QT-AuNPs responded swiftly to Al<sup>3+</sup> charging with color perturbation from red to grayish-purple, coupled with an absorption spectra red shift, owing to Al<sup>3+</sup>-induced aggregation of QT-AuNPs. However, when fluoride ion (F<sup>-</sup>) was pre-mixed with an optimized Al<sup>3+</sup> concentration, reversed color changes from grayish-purple to red were observed with a blue shift in the absorption spectra. Simply put, F<sup>-</sup> formed a complex with Al<sup>3+</sup>, thus preventing Al<sup>3+</sup>-induced aggregation of QT-AuNPs. The analytical response A<sub>520</sub>/A<sub>650</sub> was linear with F<sup>-</sup> concentration ranging from 25.0 to 250.0 µM and 250.0-600.0 µM, with a detection limit of 7.5 µM. The developed QT-AuNPs/Al<sup>3+</sup> detection probe was selective to only F<sup>-</sup> charging, in comparison with other possible interfering anions. Real sample potentiality of the developed sensor was demonstrated on tap water samples, toothpaste, and fluoride-rich mouthwash, with reliable accuracy. Fluoride ; Colloidal gold ; Nanoparticle ; Ion ; Materials science ; Quercetin ; Nanotechnology ; Inorganic chemistry ; Chemistry ; Organic chemistry Advanced Nanomaterials in Catalysis ; Carbon and Quantum Dots Applications ; Fluoride Effects and Removal
Authors: Jianfeng Li | Payam Hashemi | Tianyi Liu | Ka My Dang | Michael G. K. Brunk | Xin Mu | Ali Shaygan Nia | Wesley D. Sacher | Xinliang Feng | Joyce K. S. Poon
Source: Communications Materials (article, 2024-04-24)
Field: Materials Science — Materials Chemistry

3D printed titanium carbide MXene-coated polycaprolactone scaffolds for guided neuronal growth and photothermal stimulation Abstract The exploration of neural circuitry is paramount for comprehending the computational mechanisms and physiology of the brain. Despite significant advances in materials and fabrication techniques, controlling neuronal connectivity and response in 3D remains a formidable challenge. Here, we introduce a method for engineering the growth of 3D neural circuits with the capability for optical stimulation. We fabricate bioactive interfaces by melt electrospinning writing (MEW) 3D polycaprolactone (PCL) scaffolds followed by coating with titanium carbide (Ti 3 C 2 T x MXene). Beyond enhancing hydrophilicity, cell adhesion, and electrical conductivity, the Ti 3 C 2 T x MXene coating enables optocapacitance-based neuronal stimulation, induced by localized temperature increases upon illumination. This approach offers a pathway for additive manufacturing of neural tissues endowed with optical control, facilitating functional tissue engineering and neural circuit computation. Polycaprolactone ; Photothermal therapy ; Materials science ; Titanium carbide ; Titanium ; Stimulation ; Biomedical engineering ; Nanotechnology ; Composite material ; Metallurgy ; Neuroscience ; Medicine ; Biology ; Polymer MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Kenan Gören | Mehmet Bağlan | Ümit Yıldıko | Veysel Tahiroğlu
Source: Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi (article, 2024-05-22)
Field: Chemistry — Organic Chemistry

Molecular Docking and DFT Analysis of Thiazolidinone-Bis Schiff Base for anti-Cancer and anti-Urease Activity This reearch focused on the structural characterization of (2Z,5E)-2-(((E)-benziliden) hidraziniliden)-5-(nitro(fenil)metilen)-3-feniltiazolidin-4-on molecule (Thiazolidinone-Bis Schiff Base). Depending on the molecule's stability phase geometry, all analyses have been carried out utilizing the B3PW91 technique with 6-311++G(d,p) and SDD basis sets, for structural characterisation. Many computations were performed in our work, including inter-orbital and inter-orbital bond interactions, HOMO-LUMO energy deficiencies, and electrostatic surface mapping processes of the Thiazolidinone-Bis Schiff Base. In a subsequent investigation, we have used molecular docking to analyze the particular binding place and method of the ligand onto the protein. Schiff Thiazolidinone Molecular docking results against cancer and urease enzymes were obtained. Schiff base ; Chemistry ; Docking (animal) ; HOMO/LUMO ; Molecule ; Computational chemistry ; Nitro ; Molecular orbital ; Urease ; Ligand (biochemistry) ; Stereochemistry ; Combinatorial chemistry ; Enzyme ; Organic chemistry ; Receptor ; Biochemistry Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Enzyme function and inhibition
Authors: Unai Aseginolaza | Josu Diego | Tommaso Cea | Raffaello Bianco | Lorenzo Monacelli | Francesco Libbi | Matteo Calandra | Aitor Bergara | Francesco Mauri | Ion Errea
Source: Nature Physics (article, 2024-05-16)
Field: Materials Science — Materials Chemistry

Bending rigidity, sound propagation and ripples in flat graphene Physics ; Rigidity (electromagnetism) ; Graphene ; Bending ; Flexural rigidity ; Sound propagation ; Acoustics ; Classical mechanics ; Quantum mechanics Graphene research and applications ; Advanced Materials and Mechanics ; Advanced Sensor and Energy Harvesting Materials
Authors: Florian Franke | Stefan Kazula | Lars Enghardt
Source: The Aeronautical Journal (article, 2024-07-01)
Field: Materials Science — Materials Chemistry

Elaboration and outlook for metal hydride applications in future hydrogen-powered aviation Abstract Hydrogen is a promising energy carrier to decarbonise aviation. However, many challenges regarding its storage or handling still have to be solved to successfully utilise hydrogen in aircraft and at airport infrastructures. The increasing use of hydrogen also generates opportunities for disruptive improvements, like the possibility to integrate metal hydrides (MHs) into the hydrogen powertrain and its infrastructure. Besides their ability to store hydrogen, MHs enable a wide range of potential secondary functions such as high-power thermal applications or compression. This way, MHs may contribute to achieve the goal of sustainable hydrogen-powered aviation. Hence, potential MH application options and their current state-of-the-art are presented. Based on that overview, the following seven use cases for aviation are selected for evaluation: ‘hydrogen emergency storage’, ‘cabin air-conditioning’, ‘thermal management of fuel cells’, ‘gas gap heat switches’, ‘hydrogen boil-off recovery’, ‘onboard hydrogen compression’ and ‘hydrogen safety sensors’. Four of these use cases are investigated to achieve comparable degrees of detail to avoid misevaluations in the subsequent weighted point rating. The results reveal the high potential of MHs for ‘hydrogen boil-off recovery’, ‘hydrogen safety sensors’ and ‘cabin air-conditioning’. For the three most promising use cases, outlooks to their potential future implementation are provided in order to outline the ability of MHs to empower sustainable aviation. These investigations highlight the huge potential of MHs for boil-off treatment. Aviation ; Hydrogen vehicle ; Compressed hydrogen ; Hydrogen ; Energy carrier ; Aviation fuel ; Hydrogen storage ; Air conditioning ; Engineering ; Hydrogen fuel ; Computer science ; Environmental science ; Automotive engineering ; Waste management ; Fuel cells ; Mechanical engineering ; Renewable energy ; Aerospace engineering ; Electrical engineering ; Chemistry Hydrogen Storage and Materials ; Nuclear Materials and Properties ; Catalytic Processes in Materials Science
Authors: Dong Kyu Lee | Sungwon Lee | Hyeji Sim | Yunkyu Park | Si‐Young Choi | Junwoo Son
Source: Science Advances (article, 2024-04-05)
Field: Materials Science — Polymers and Plastics

Piezo strain–controlled phase transition in single-crystalline Mott switches for threshold-manipulated leaky integrate-and-fire neurons Electrical manipulation of the metal-insulator transition (MIT) in quantum materials has attracted considerable attention toward the development of ultracompact neuromorphic devices because of their stimuli-triggered transformations. VO<sub>2</sub> is expected to undergo abrupt electronic phase transition by piezo strain near room temperature; however, the unrestricted integration of defect-free VO<sub>2</sub> films on piezoelectric substrates is required to fully exploit this emerging phenomenon in oxide heterostructures. Here, we demonstrate the integration of single-crystalline VO<sub>2</sub> films on highly lattice-mismatched PMN-PT piezoelectric substrates using a single-crystal TiO<sub>2</sub>-nanomembrane (NM) template. Using our strategy on heterogeneous integration, single-crystal-like steep transition was observed in the defect-free VO<sub>2</sub> films on TiO<sub>2</sub>-NM-PMN-PT. Unprecedented <i>T</i><sub>MI</sub> modulation (5.2 kelvin) and isothermal resistance of VO<sub>2</sub> [Δ<i>R</i>/<i>R</i> (<i>E</i><sub>g</sub>) ≈ 18,000% at 315 kelvin] were achieved by the efficient strain transfer-induced MIT, which cannot be achieved using directly grown VO<sub>2</sub>/PMN-PT substrates. Our results provide a fundamental strategy to realize a single-crystalline artificial heterojunction for promoting the application of artificial neurons using emergent materials. Heterojunction ; Materials science ; Piezoelectricity ; Phase transition ; Single crystal ; Optoelectronics ; Nanotechnology ; Oxide ; Neuromorphic engineering ; Condensed matter physics ; Chemistry ; Composite material ; Crystallography ; Physics Transition Metal Oxide Nanomaterials ; Advanced Memory and Neural Computing ; Advanced Sensor and Energy Harvesting Materials
Authors: Fahimeh Darvish | Sajjad Shumaly | Xiaomei Li | Dong Yun | Diego Díaz | Mohammad Reza Khani | Doris Vollmer | Hans‐Jürgen Butt
Source: Scientific Reports (article, 2024-05-09)
Field: Materials Science — Surfaces, Coatings and Films

Control of spontaneous charging of sliding water drops by plasma-surface treatment Slide electrification is the spontaneous separation of electric charges at the rear of water drops sliding over solid surfaces. This study delves into how surfaces treated with a low-pressure plasma impact water slide electrification. Ar, O<sub>2</sub>, and N<sub>2</sub> plasma treatment reduced the drop charge and contact angles on glass, quartz, and SU-8 coated with 1H,1H,2H,2H-perfluoroctyltrichlorosilane (PFOTS), and polystyrene. Conversely, 64% higher drop charge was achieved using electrode-facing treatment in plasma chamber. Based on the zeta potential, Kelvin potential, and XPS measurements, the plasma effects were attributed to alterations of the topmost layer's chemistry, such as oxidation and etching, and superficially charge deposition. The surface top layer charges were less negative after electrode-facing and more negative after bulk plasma treatment. As a result, the zeta potential was less negative after electrode-facing and more negative after bulk plasma treatment. Although the fluorinated layer was applied after plasma activation, we observed a discernible impact of plasma-glass treatment on drop charging. Plasma surface modification offers a means to adjust drop charges: electrode-facing treatment of the fluorinated layer leads to an enhanced drop charge, while plasma treatment on the substrate prior to fluorination diminishes drop charges, all without affecting contact angles or surface roughness. Electrode ; Plasma ; Contact electrification ; Drop (telecommunication) ; Plasma etching ; Analytical Chemistry (journal) ; Surface charge ; Materials science ; Contact angle ; Zeta potential ; Plasma cleaning ; Chemistry ; Layer (electronics) ; Etching (microfabrication) ; Composite material ; Nanotechnology ; Chromatography ; Triboelectric effect Surface Modification and Superhydrophobicity ; Electrowetting and Microfluidic Technologies ; Electrohydrodynamics and Fluid Dynamics
Authors: Heba Abed | Rana Sabouni | Mehdi Ghommem
Source: RSC Advances (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

MOF-based spectrophotometric sensors for cholesterol detection: current trends and challenges Cholesterol detection is essential for early diagnosis and monitoring of cholesterol-related diseases, such as atherosclerosis, hypercholesterolemia, and liver diseases. A variety of nanomaterials have been designed and synthesized for cholesterol detection <i>via</i> electrochemical and spectrophotometric techniques. Metal organic frameworks (MOFs) have emerged as promising detector materials for cholesterol sensing. Recent research explores MOFs as spectrophotometric cholesterol sensors with remarkable performance in terms of limit of detection and selectivity. Given the growing interest in cholesterol sensing, and limited reviews on recent advances in the field, this review critically examines recent advances in MOF-based spectrophotometric cholesterol sensors, outlining the different mechanistic roles of MOFs in cholesterol detection. The review also highlights significant improvements, current challenges, and potential applications of MOF-based sensors for cholesterol detection in point-of-care devices and medical diagnostics. Point-of-care testing ; Point of care ; Current (fluid) ; Point (geometry) ; Computer science ; Nanotechnology ; Materials science ; Medicine ; Engineering ; Mathematics ; Electrical engineering Advanced Nanomaterials in Catalysis ; Metal-Organic Frameworks: Synthesis and Applications ; Electrochemical sensors and biosensors
Authors: Liran Yuan | Shuai Fu | Hua Hao | Xiangyu Meng | Minghe Cao | Zhonghua Yao | Hanxin Liu
Source: Journal of the American Ceramic Society (article, 2024-04-10)
Field: Materials Science — Materials Chemistry

Ultrafast discharge properties and enhanced energy density in lead‐free NaNbO <sub>3</sub> ‐based relaxor ferroelectric ceramics Abstract NaNbO 3 ‐based (NN) energy storage ceramics are known for exhibiting high maximum polarization ( P max ) and large recoverable energy density ( W rec ). However, the huge energy loss density ( W loss ) has been a limiting factor in improving energy storage performance. Therefore, a ternary system was designed to achieve both huge W rec and efficiency ( η ). The combination of 0.35Bi(Zn 0.5 Ti 0.5 )O 3 –0.65BaTiO 3 (BZTBT) was chosen to reduce grain size and disrupt the long‐range ordered domains, thereby inducing the polar‐nano‐regions to mitigate W loss . The optimal performance was achieved with the 0.75NaNbO 3 –0.25(0.35Bi(Zn 0.5 Ti 0.5 )O 3 –0.65BaTiO 3 ) (0.75NN–0.25BZTBT) ceramic, which exhibited a high W rec = 2.68 J/cm 3 and superior η = 82.7% under 310 kV/cm. Remarkably, the 0.75NN–0.25BZTBT ceramic displayed an exceptionally fast discharge time to 90%, t 0.9 = 88 ns, coupled with a huge energy density W d = 0.95 J/cm 3 . This study demonstrates the significant potential of 0.75NN–0.25BZTBT ceramic in the realm of energy storage and rapid charge–discharge applications. Ceramic ; Materials science ; Relaxor ferroelectric ; Energy storage ; Ternary operation ; Polarization (electrochemistry) ; Ferroelectricity ; Analytical Chemistry (journal) ; Mineralogy ; Optoelectronics ; Composite material ; Dielectric ; Thermodynamics ; Physical chemistry ; Chemistry ; Physics ; Computer science Ferroelectric and Piezoelectric Materials ; Dielectric materials and actuators ; Multiferroics and related materials
Authors: Alessio Di Ianni | Christian Ihling | Tomáš Vranka | Václav Matoušek | Andrea Sinz | Claudio Iacobucci
Source: JACS Au (article, 2024-07-16)
Field: Chemistry — Spectroscopy

Evaluating Imide-Based Mass Spectrometry-Cleavable Cross-Linkers for Structural Proteomics Studies Disuccinimidyl dibutyric urea (DSBU) is a mass spectrometry (MS)-cleavable cross-linker that has multiple applications in structural biology, ranging from isolated protein complexes to comprehensive system-wide interactomics. DSBU facilitates a rapid and reliable identification of cross-links through the dissociation of its urea group in the gas phase. In this study, we further advance the structural capabilities of DSBU by remodeling the urea group into an imide, thus introducing a novel class of cross-linkers. This modification preserves the MS cleavability of the amide bond, granted by the two acyl groups of the imide function. The central nitrogen atom enables the introduction of affinity purification tags. Here, we introduce disuccinimidyl disuccinic imide (DSSI) as a prototype of this class of cross-linkers. It features a phosphonate handle for immobilized metal ion affinity chromatography enrichment. We detail DSSI synthesis and describe its behavior in solution and in the gas phase while cross-linking isolated proteins and human cell lysates. DSSI and DSBU cross-links are compared at the same enrichment depth to bridge these two cross-linker classes. We validate DSSI cross-links by mapping them in high-resolution structures of large protein assemblies. The cross-links observed yield insights into the morphology of intrinsically disordered proteins and their complexes. The DSSI linker might spearhead a novel class of MS-cleavable and enrichable cross-linkers. Chemistry ; Imide ; Linker ; Mass spectrometry ; Combinatorial chemistry ; Amide ; Solid-phase synthesis ; Peptide ; Biochemistry ; Chromatography ; Polymer chemistry ; Computer science Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Protein Structure and Dynamics
Authors: Zihan Zou | Senyi Liu | Jinsong Kang
Source: World Electric Vehicle Journal (review, 2024-09-29)
Field: Materials Science — Materials Chemistry

Degradation Mechanism and Online Electrical Monitoring Techniques of Stator Winding Insulation in Inverter-Fed Machines: A Review Inverter-fed machines are widely used in electric vehicle drive systems and have shown a trend toward high voltage and frequency in recent years. They are subjected to multiple types of stress during operation, causing potential short-circuit fault damage to the stator winding insulation. Online condition monitoring of the insulation before or in the early stage of the short circuit fault can effectively reduce maintenance costs and ensure its health. This paper reviews and summarizes the deterioration mechanism and the recent online electrical monitoring techniques. First, four types of failure stress and each type’s failure factors and mechanisms are analyzed. The coupling effect and overall process of multi-physical fields on stator insulation failure are considered. Secondly, the latest online electrical monitoring technologies are summarized. Each technique’s principles, methods, advantages, and disadvantages are analyzed. Finally, existing problems and possible directions for improvement in current research are discussed, focusing on their feasibility and accuracy in practical applications. Stator ; Reliability engineering ; Inverter ; Fault (geology) ; Mechanism (biology) ; Automotive engineering ; Failure mechanism ; Voltage ; Degradation (telecommunications) ; Computer science ; Coupling (piping) ; Electrical engineering ; Engineering ; Mechanical engineering ; Structural engineering High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Machine Fault Diagnosis Techniques
Authors: M. A. Ilgamov | Aigul A. Aitbaeva | И. С. Павлов | Sergey V. Dmitriev
Source: Facta Universitatis Series Mechanical Engineering (article, 2024-07-31)
Field: Materials Science — Materials Chemistry

CARBON NANOTUBE UNDER PULSED PRESSURE The radial dynamics of a single-walled zigzag carbon nanotube under pulsed pressure is studied. Uniform external pressure is applied instantly, then remains constant for a certain time, and then is instantly released. This loading scheme allows one to consider a carbon nanotube under plane strain conditions and replace it with a circular ring formed by one zigzag row of carbon atoms. The bending deformation of the ring in its plane is described by an equation based on the Kirchhoffs hypothesis. An effective parameter is used, including the bending stiffness of the ring and areal density. The regimes of oscillatory motion and exponential growth of radial displacements are investigated depending on the magnitude and duration of the applied pressure. Alternatively, the ring is analyzed in terms of a molecular dynamics model with a reduced number of degrees of freedom, taking into account the plane strain conditions. With the help of molecular dynamics, the limits of the thin shell theory are established. For (n, 0) CNTs with n &gt; 15, in the regime of small-amplitude vibrations, the discrepancy between the continuum model and molecular dynamics calculations does not exceed 5% and decreases with increasing n. Carbon nanotube ; Nanotube ; Materials science ; Nanotechnology Carbon Nanotubes in Composites ; Boron and Carbon Nanomaterials Research ; Nanotechnology research and applications
Authors: Kunjie Fan | Birkan Gökbağ | Shan Tang | Shangjia Li | Yirui Huang | Lingling Wang | Lijun Cheng | Lang Li
Source: Briefings in Bioinformatics (article, 2024-07-25)
Field: Materials Science — Materials Chemistry

Synthetic lethal connectivity and graph transformer improve synthetic lethality prediction Synthetic lethality (SL) has shown great promise for the discovery of novel targets in cancer. CRISPR double-knockout (CDKO) technologies can only screen several hundred genes and their combinations, but not genome-wide. Therefore, good SL prediction models are highly needed for genes and gene pairs selection in CDKO experiments. However, lack of scalable SL properties prevents generalizability of SL interactions to out-of-sample data, thereby hindering modeling efforts. In this paper, we recognize that SL connectivity is a scalable and generalizable SL property. We develop a novel two-step multilayer encoder for individual sample-specific SL prediction model (MLEC-iSL), which predicts SL connectivity first and SL interactions subsequently. MLEC-iSL has three encoders, namely, gene, graph, and transformer encoders. MLEC-iSL achieves high SL prediction performance in K562 (AUPR, 0.73; AUC, 0.72) and Jurkat (AUPR, 0.73; AUC, 0.71) cells, while no existing methods exceed 0.62 AUPR and AUC. The prediction performance of MLEC-iSL is validated in a CDKO experiment in 22Rv1 cells, yielding a 46.8% SL rate among 987 selected gene pairs. The screen also reveals SL dependency between apoptosis and mitosis cell death pathways. Lethality ; Synthetic lethality ; Computer science ; Transformer ; Biology ; Genetics ; Engineering ; Gene ; Electrical engineering Machine Learning in Materials Science ; Advanced Graph Neural Networks ; Adversarial Robustness in Machine Learning