jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Christian Julius Wijaya | Suryadi Ismadji | Hakun Wirawasista Aparamarta | Setiyo Gunawan
Source: Molecules (article, 2021-10-25)
Field: Chemistry — Inorganic Chemistry

Statistically Optimum HKUST-1 Synthesized by Room Temperature Coordination Modulation Method for the Adsorption of Crystal Violet Dye Due to its excellency and versatility, many synthesis methods and conditions were developed to produce HKUST-1 ([Cu<sub>3</sub>(BTC)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]<sub>n</sub>). However, the diversity of HKUST-1 was actually generated both in terms of characteristics and morphologies. Hence, the consistency of HKUST-1 characteristics and morphologies needs to be maintained. The statistical analysis and optimization provide features to determine the best synthesis condition. Here, a room-temperature coordination modulation method was proposed to maintain the morphology of HKUST-1 while reducing energy consumption. In addition, response surface methodology (RSM) was used to demonstrate the statistical analysis and optimization of the synthesis of HKUST-1. The molar ratio of ligand to metal, reaction time, and acetic acid concentration were studied to determine their effects on HKUST-1. The optimum HKUST-1 was obtained by the synthesis with a molar ratio of ligand to metal of 0.4703 for 27.2 h using 5% <i>v</i>/<i>v</i> acetic acid concentration. The statistical analysis performed a good agreement with the experimental data and showed the significance of three desired parameters on HKUST-1. The optimum HKUST-1 had the adsorption capacity of 1005.22 mg/g with a removal efficiency of 92.31% towards CV dye. It could be reused up to 5 cycles with insignificant decrease in performance. Adsorption ; Molar ratio ; Acetic acid ; Metal ; Materials science ; Ligand (biochemistry) ; Chemical engineering ; Chemistry ; Physical chemistry ; Catalysis ; Metallurgy ; Organic chemistry ; Receptor ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; Polyoxometalates: Synthesis and Applications ; Nanocluster Synthesis and Applications
Authors: Jarkko Etula | Niklas Wester | Touko Liljeström | Sami Sainio | Tommi Palomäki | Kai Arstila | Timo Sajavaara | Jari Koskinen | A. Miguel | Tomi Laurila
Source: Chemistry of Materials (article, 2021-08-23)
Field: Materials Science — Materials Chemistry

What Determines the Electrochemical Properties of Nitrogenated Amorphous Carbon Thin Films? Linking structural and compositional features with the observed electrochemical performance is often ambiguous and sensitive to known and unknown impurities. Here an extensive experimental investigation augmented by computational analyses is linked to the electrochemical characterization of in situ nitrogen-doped tetrahedral amorphous carbon thin films (ta-C:N). Raman spectroscopy combined with X-ray reflectivity shows nitrogen disrupting the sp3 C–C structure of the reference ta-C, supported by the observations of graphitic nitrogen substitution in X-ray absorption spectroscopy. The surface roughness also increases, as observed in atomic force microscopy and atomic-level computational analyses. These changes are linked to significant increases in the hydrogen and oxygen content of the films by utilizing time-of-flight elastic recoil detection analysis. The conductivity of the films increases as a function of the nitrogen content, which is seen as a facile reversible outer-sphere redox reaction on ta-C:N electrodes. However, for the surface-sensitive inner-sphere redox (ISR) analytes, it is shown that the electrochemical response instead follows the oxygen and hydrogen content. We argue that the passivation of the required surface adsorption sites by hydrogen decreases the rates of all of the chemically different ISR probes investigated on nitrogenated surfaces significantly below that of the nitrogen-free reference sample. This hypothesis can be used to readily rationalize many of the contradictory electrochemical results reported in the literature. Amorphous carbon ; Raman spectroscopy ; Elastic recoil detection ; Electrochemistry ; Materials science ; Analytical Chemistry (journal) ; Carbon fibers ; Thin film ; Amorphous solid ; Chemistry ; Electrode ; Nanotechnology ; Physical chemistry ; Crystallography ; Organic chemistry ; Composite number Diamond and Carbon-based Materials Research ; Semiconductor materials and devices ; Electrocatalysts for Energy Conversion
Authors: Emily M. Williamson | Bryce A. Tappan | Lucía Mora‐Tamez | Gözde Barım | Richard L. Brutchey
Source: ACS Nano (article, 2021-04-20)
Field: Chemistry — Organic Chemistry

Statistical Multiobjective Optimization of Thiospinel CoNi<sub>2</sub>S<sub>4</sub> Nanocrystal Synthesis <i>via</i> Design of Experiments Thiospinels, such as CoNi<sub>2</sub>S<sub>4</sub>, are showing promise for numerous applications, including as catalysts for the hydrogen evolution reaction, hydrodesulfurization, and oxygen evolution and reduction reactions; however, CoNi<sub>2</sub>S<sub>4</sub> has not been synthesized as small, colloidal nanocrystals with high surface-area-to-volume ratios. Traditional optimization methods to control nanocrystal attributes such as size typically rely upon one variable at a time (OVAT) methods that are not only time and labor intensive but also lack the ability to identify higher-order interactions between experimental variables that affect target outcomes. Herein, we demonstrate that a statistical design of experiments (DoE) approach can optimize the synthesis of CoNi<sub>2</sub>S<sub>4</sub> nanocrystals, allowing for control over the responses of nanocrystal size, size distribution, and isolated yield. After implementing a 2<sup>5-2</sup> fractional factorial design, the statistical screening of five different experimental variables identified temperature, Co:Ni precursor ratio, Co:thiol ratio, and their higher-order interactions as the most critical factors in influencing the aforementioned responses. Second-order design with a Doehlert matrix yielded polynomial functions used to predict the reaction parameters needed to individually optimize all three responses. A multiobjective optimization, allowing for the simultaneous optimization of size, size distribution, and isolated yield, predicted the synthetic conditions needed to achieve a minimum nanocrystal size of 6.1 nm, a minimum polydispersity (σ/<i>d̅</i>) of 10%, and a maximum isolated yield of 99%, with a desirability of 96%. The resulting model was experimentally verified by performing reactions under the specified conditions. Our work illustrates the advantage of multivariate experimental design as a powerful tool for accelerating control and optimization in nanocrystal syntheses. Nanocrystal ; Dispersity ; Design of experiments ; Factorial experiment ; Response surface methodology ; Materials science ; Fractional factorial design ; Yield (engineering) ; Nanotechnology ; Computer science ; Mathematics ; Statistics ; Machine learning Nanomaterials for catalytic reactions ; Catalysis and Hydrodesulfurization Studies ; Chalcogenide Semiconductor Thin Films
Authors: Fabiola Olmo | Antonio C. Rodriguez | Álvaro Colina | Aránzazu Heras
Source: Journal of Solid State Electrochemistry (article, 2021-08-20)
Field: Chemistry — Electrochemistry

UV/Vis absorption spectroelectrochemistry of folic acid Abstract UV/Vis absorption spectroelectrochemistry is a very promising analytical technique due to the complementary information that is simultaneously obtained from electrochemistry and spectroscopy. In this work, this technique is used in a parallel configuration to study the oxidation of folic acid in alkaline medium. Herein, UV/Vis absorption spectroelectrochemistry has been used to detect both the oxidation products and the folic acid consumed at the electrode/solution interface, allowing us to develop an analytical protocol to quantify vitamin B9 in pharmaceutical tablets. Linear ranges of three orders of magnitude have been achieved in basic medium (pH = 12.9), obtaining high repeatability and low detection limits. The spectroelectrochemical determination of folic acid in pharmaceutical tablets at alkaline pH values is particularly interesting because of the changes that occur in the optical signal during the electrochemical oxidation of FA, providing results with very good figures of merit and demonstrating the utility and versatility of this hyphenated technique, UV/Vis absorption spectroelectrochemistry. Electrochemistry ; Folic acid ; Absorption (acoustics) ; Repeatability ; Chemistry ; Absorption spectroscopy ; Ultraviolet visible spectroscopy ; Electrode ; Analytical Chemistry (journal) ; Materials science ; Chromatography ; Organic chemistry ; Optics ; Physical chemistry Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Conducting polymers and applications
Authors: Iris Hansjosten | Masanari Takamiya | J. Rapp | Luisa Reiner | Susanne Fritsch‐Decker | Dorit Mattern | Silvia Andraschko | Chantal Anders | Giuseppina Pace | Thomas Dickmeis | Ravindra Peravali | Sepand Rastegar | Uwe Strähle | I‐Lun Hsiao | Douglas Gilliland | Isaac Ojea‐Jiménez | Selina V. Y. Ambrose | Marie-France A. Belinga-Desaunay-Nault | Abdullah O. Khan | Iseult Lynch | Eugenia Valsami‐Jones | Silvia Diabaté | Carsten Weiß
Source: Environmental Science Nano (article, 2021-11-22)
Field: Materials Science — Materials Chemistry

Surface functionalisation-dependent adverse effects of metal nanoparticles and nanoplastics in zebrafish embryos High throughput imaging is used to assess hatching, lethality and malformations in zebrafish embryos and is suitable for hazard ranking of different nanomaterials. Zebrafish ; Lethality ; Hatching ; Embryo ; Nanomaterials ; Nanoparticle ; Nanotechnology ; Chemistry ; Materials science ; Cell biology ; Biology ; Toxicology ; Biochemistry ; Ecology Nanoparticles: synthesis and applications ; Microplastics and Plastic Pollution ; Graphene and Nanomaterials Applications
Authors: R. Ramesh | Lane W. Martin
Source: Rivista Del Nuovo Cimento (article, 2021-05-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electric field control of magnetism: multiferroics and magnetoelectrics Multiferroics ; Field (mathematics) ; Engineering ethics ; Perspective (graphical) ; Control (management) ; Engineering physics ; Nanotechnology ; Magnetism ; Computer science ; Physics ; Engineering ; Electrical engineering ; Artificial intelligence ; Condensed matter physics ; Materials science ; Ferroelectricity Multiferroics and related materials ; Magnetic and transport properties of perovskites and related materials ; Ferroelectric and Piezoelectric Materials
Authors: Balamurugan Karnan | K. Arunkarthikeyan
Source: International Journal of Heat and Technology (article, 2021-08-31)
Field: Materials Science — Materials Chemistry

Graph Theory and Matrix Approach for Machinability Enhancement of Cryogenic Treated Cobalt Bonded Tungsten Carbide Inserts Cryogenic treatment is a sustainable manufacturing process preferred to improve the properties of the material. In the present study, the effect of cryo treated tungsten carbide cobalt bonded insert (WC-Co) measured in terms of tool life and surface finish on dry turning on high strength AISI4340 steel at different machine parametric conditions. The observations of Untreated (UT) and Deep Cryo Treated (DCT) inserts were compared. Formation and the distribution of eta phase carbides are verified by Scanning Electron Micrograph (SEM). The DCT insert shows a reduction in 27.27% tool wear with an acceptable level of surface finish. Taguchi's coupled Graph Theory and Matrix Approach (TC-GTMA) is used to predict the optimum machining condition and to substantiate the results the validation experiment is conducted and found satisfactory. Materials science ; Machinability ; Tungsten carbide ; Cryogenic treatment ; Scanning electron microscope ; Carbide ; Machining ; Surface roughness ; Taguchi methods ; Surface finish ; Tool wear ; Cobalt ; Composite material ; Metallurgy ; Microstructure Metal Alloys Wear and Properties ; Advanced materials and composites ; Advanced machining processes and optimization
Authors: Fabio Corti | Alberto Reatti | Gabriele Maria Lozito | E. Cardelli | Antonino Laudani
Source: Energies (article, 2021-10-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Influence of Non-Linearity in Losses Estimation of Magnetic Components for DC-DC Converters In this paper, the problem of estimating the core losses for inductive components is addressed. A novel methodology is applied to estimate the core losses of an inductor in a DC-DC converter in the time-domain. The methodology addresses both the non-linearity and dynamic behavior of the core magnetic material and the non-uniformity of the field distribution for the device geometry. The methodology is natively implemented using the LTSpice simulation environment and can be used to include an accurate behavioral model of the magnetic devices in a more complex lumped circuit. The methodology is compared against classic estimation techniques such as Steinmetz Equation and the improved Generalized Steinmetz Equation. The validation is performed on a practical DC-DC Buck converter, which was utilized to experimentally verify the results derived by a model suitable to estimate the inductor losses. Both simulation and experimental test confirm the accuracy of the proposed methodology. Thus, the proposed technique can be flexibly used both for direct core loss estimation and the realization of a subsystem able to simulate the realistic behavior of an inductor within a more complex lumped circuit. Inductor ; Converters ; Realization (probability) ; Electronic engineering ; Buck converter ; Linearity ; Control theory (sociology) ; Core (optical fiber) ; Equivalent circuit ; Computer science ; Engineering ; Electrical engineering ; Mathematics ; Voltage Magnetic Properties and Applications ; Advanced DC-DC Converters ; Silicon Carbide Semiconductor Technologies
Authors: Jinjuan Tan | Zhongjing Zhou | Hanqian Feng | Jiayun Xing | Yujie Niu | Zhiping Deng
Source: International Journal of Molecular Sciences (article, 2021-11-27)
Field: Chemistry — Spectroscopy

Data-Independent Acquisition-Based Proteome and Phosphoproteome Profiling Reveals Early Protein Phosphorylation and Dephosphorylation Events in Arabidopsis Seedlings upon Cold Exposure Protein phosphorylation plays an important role in mediating signal transduction in cold response in plants. To better understand how plants sense and respond to the early temperature drop, we performed data-independent acquisition (DIA) method-based mass spectrometry analysis to profile the proteome and phosphoproteome of <i>Arabidopsis</i> seedlings upon cold stress in a time-course manner (10, 30 and 120 min of cold treatments). Our results showed the rapid and extensive changes at the phosphopeptide levels, but not at the protein abundance levels, indicating cold-mediated protein phosphorylation and dephosphorylation events. Alteration of over 1200 proteins at phosphopeptide levels were observed within 2 h of cold treatment, including over 140 kinases, over 40 transcriptional factors and over 40 E3 ligases, revealing the complexity of regulation of cold adaption. We summarized cold responsive phosphoproteins involved in phospholipid signaling, cytoskeleton reorganization, calcium signaling, and MAPK cascades. Cold-altered levels of 73 phosphopeptides (mostly novel cold-responsive) representing 62 proteins were validated by parallel reaction monitoring (PRM). In summary, this study furthers our understanding of the molecular mechanisms of cold adaption in plants and strongly supports that DIA coupled with PRM are valuable tools in uncovering early signaling events in plants. Phosphopeptide ; Proteome ; Arabidopsis ; Phosphorylation ; Protein phosphorylation ; Dephosphorylation ; Signal transduction ; Biology ; Phosphoproteomics ; Proteomics ; Cell biology ; Biochemistry ; Chemistry ; Protein kinase A ; Phosphatase ; Mutant Mass Spectrometry Techniques and Applications ; Plant Stress Responses and Tolerance ; Advanced Proteomics Techniques and Applications
Authors: J. R. Capers | Stephen J. Boyes | Alastair P. Hibbins | S. A. R. Horsley
Source: Communications Physics (article, 2021-09-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Designing the collective non-local responses of metasurfaces Abstract The ability to design the electromagnetic properties of materials to achieve any given wave scattering effect is key to many technologies, from communications to cloaking and biological imaging. Currently, common design methods either neglect degrees of freedom or are difficult to interpret. Here, we derive a simple and efficient method for designing wave–shaping materials composed of dipole scatterers, taking into account multiple scattering effects and both magnetic and electric polarizabilities. As an application of our theory, we design aperiodic metasurfaces that re-structure the radiation from a dipole emitter: (i) modifying of the near-field to provide a 4-fold enhancement in power emission; (ii) re-shaping the far-field radiation pattern to exhibit chosen directivity; and (iii) the design of a discrete Luneburg–like lens. Additionally, we develop a clear physical interpretation of the optimised structure, by extracting eigen-polarizabilities of the system, finding that a large eigen-polarizability corresponds to a large collective response of the scatterers. Directivity ; Polarizability ; Wavefront ; Dipole ; Inverse ; Planar ; Optics ; Physics ; Common emitter ; Luneburg lens ; Radiation ; Field (mathematics) ; Metamaterial ; Computer science ; Antenna (radio) ; Geometry ; Mathematics ; Optoelectronics ; Telecommunications ; Refractive index Metamaterials and Metasurfaces Applications ; Random lasers and scattering media ; Advanced Antenna and Metasurface Technologies
Authors: Tomáš Martinovič | Jan Fulneček
Source: IEEE Transactions on Power Delivery (article, 2021-08-13)
Field: Materials Science — Materials Chemistry

Fast Algorithm for Contactless Partial Discharge Detection on Remote Gateway Device Detection of the high impedance fault caused by vegetation is one of the biggest challenges brought by the usage of covered conductors in medium voltage overhead power lines. One of the accompanying events of long-term contact of vegetation with the XLPE insulation is partial discharge which damages the insulation. Current systems for the detection of partial discharge have two major problems: the price and difficult installation. In this paper, an approach for the detection of the partial discharge from the data collected by the antenna is described. This approach is focused on the small computational demand and low false positive rate. Thanks to the small computational requirements, it can be run on the remote gateway devices which are collecting the data from the antenna. It is composed of four steps: outlier detection, outlier clustering, feature extraction, and classification. It is shown that this approach greatly improves the detection rate and lowers false positives compared to the previous algorithm used for partial discharge detection based on the data from an antenna, making it fit to use in the production environment. Partial discharge ; Default gateway ; Computer science ; Antenna (radio) ; Overhead (engineering) ; Fault detection and isolation ; Cluster analysis ; Anomaly detection ; Electrical engineering ; Voltage ; Electronic engineering ; Engineering ; Data mining ; Telecommunications ; Artificial intelligence ; Computer network High voltage insulation and dielectric phenomena ; Anomaly Detection Techniques and Applications ; Power Systems Fault Detection
Authors: Aubin Alliès | Antoine Roumiguié | Jean-François Dejoux | Rémy Fieuzal | Anne Jacquin | Amanda Veloso | Luc Champolivier | Frédéric Baup
Source: IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing (article, 2021-01-01)
Field: Chemistry — Analytical Chemistry

Evaluation of Multiorbital SAR and Multisensor Optical Data for Empirical Estimation of Rapeseed Biophysical Parameters This article aims to evaluate the potential of multitemporal and multiorbital remote sensing data acquired both in the microwave and optical domain to derive rapeseed biophysical parameters (crop height, dry mass, fresh mass, and plant water content). Dense temporal series of 98 Landsat-8 and Sentinel-2 images were used to derive normalized difference vegetation index (NDVI), green fraction cover (fCover), and green area index (GAI), while backscattering coefficients and radar vegetation index (RVI) were obtained from 231 mages acquired by synthetic aperture radar (SAR) onboard Sentinel-1 platform. Temporal signatures of these remote sensing indicators (RSI) were physically interpreted, compared with each other to ground measurements of biophysical parameters acquired over 14 winter rapeseed fields throughout the 2017-2018 crop season. We introduced new indicators based on the cumulative sum of each RSI that showed a significant improvement in their predictive power. Results particularly reveal the complementarity of SAR and optical data for rapeseed crop monitoring throughout its phenological cycle. They highlight the potential of the newly introduced indicator based on the VH polarized backscatter coefficient to estimate height (R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.87), plant water content (R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.77, from flowering to harvest), and fresh mass (R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.73) and RVI to estimate dry mass (R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.82). Results also demonstrate that multiorbital SAR data can be merged without significantly degrading the performance of SAR-based relationships while strongly increasing the temporal sampling of the monitoring. These results are promising in view of assimilating optical and SAR data into crop models for finer rapeseed monitoring. Rapeseed ; Computer science ; Remote sensing ; Estimation ; Synthetic aperture radar ; Artificial intelligence ; Chemistry ; Geology ; Engineering Spectroscopy and Chemometric Analyses ; Agricultural Engineering and Mechanization ; Remote Sensing in Agriculture
Authors: Melike Merve Kuru | Erdal Anil Dalgakiran | Gökhan Kaçar
Source: Colloids and Surfaces A Physicochemical and Engineering Aspects (article, 2021-08-28)
Field: Chemistry — Organic Chemistry

Investigation of morphology, micelle properties, drug encapsulation and release behavior of self-assembled PEG-PLA-PEG block copolymers: A coarse-grained molecular simulations study Micelle ; Copolymer ; Drug delivery ; Encapsulation (networking) ; PEG ratio ; Drug ; Materials science ; Amphiphile ; Fick's laws of diffusion ; Chemical engineering ; Nanotechnology ; Molecular dynamics ; Chemistry ; Polymer ; Diffusion ; Organic chemistry ; Computer science ; Thermodynamics ; Pharmacology ; Computational chemistry ; Composite material Advanced Polymer Synthesis and Characterization ; Nanoparticle-Based Drug Delivery ; Block Copolymer Self-Assembly
Authors: Simantini Majumdar | Ruma Ray | Pintu Sen
Source: Electrochimica Acta (article, 2021-04-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Anomalous intra diffusive behavior of chitosan/PVDF solid polymer electrolytes and the enhancement of effective specific capacitance with nanostructured spinel MnCoFeO4 electrode in solid-state supercapacitors Materials science ; Supercapacitor ; Electrolyte ; Ionic conductivity ; Chemical engineering ; Capacitance ; Analytical Chemistry (journal) ; Electrode ; Chemistry ; Physical chemistry ; Organic chemistry Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Advanced Battery Materials and Technologies