jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jun Jia | Hui Fu | Bo Wang | Yong Li | Yue Yu | Yuan Cao | Di Jiang
Source: Frontiers in Energy Research (article, 2022-04-11)
Field: Materials Science — Materials Chemistry

Acoustic-Electrical Joint Localization Method of Partial Discharge in Power Transformer Considering Multi-Path Propagation Impact Efficient and accurate localization of partial discharge (PD) is of paramount importance to ensure the safe operation of power transformers. However, the multi-path propagation effect introduced by the reflection, refraction and diffraction of the ultrasonic signal may add significant computational complexity to the localization process and degrade the localization accuracy. This paper proposes an acoustic- electrical joint method for partial discharge location in the power transformer with the full consideration of the multi-path propagation impact. Unlike the conventional error analysis methods, a partial discharge localization model is proposed for characterizing the multipath propagation impact without the prior knowledge of the transcendental error probability. Based on the matrix inequality transformation and relaxation, the high-dimensional nonlinear localization equations are transformed into a set of second-order convex optimization equations that can be solved using the convex second-order cone program (SOCP). The proposed solution can significantly reduce the computational complexity and improve the localization accuracy as well as avoid the local optimum and slow convergence. The solution is assessed through extensive experiments based on simulations, testbed and trial deployment in comparison with the existing solutions with the localization error of about 0.1 m. Partial discharge ; Computer science ; Nonlinear system ; Algorithm ; Propagation of uncertainty ; Mathematical optimization ; Computational complexity theory ; Transformer ; Multipath propagation ; Voltage ; Mathematics ; Telecommunications ; Physics High voltage insulation and dielectric phenomena ; Advanced Fiber Optic Sensors ; Geophysical Methods and Applications
Authors: Rahmat Fadhil | Raida Agustina | Mustaqimah | Shafira Pradyta
Source: International Journal of Design & Nature and Ecodynamics (article, 2022-08-31)
Field: Chemistry — Inorganic Chemistry

Sensory Analysis of Pliek U Using the Analytical Hierarchy Process (AHP) Method The people of Aceh usually use coconut flesh to produce three derivative products, namely Pliek u oil, Simplah oil, and Pliek u oil. Pliek u is made from coconut flesh (Cocos nucifera L.) that has been fermented, dried, and oil-extracted without the addition of microbes. It has developed into a traditional recipe for cooking spices, chili sauce, and salad. Therefore, this study aims to perform sensory analysis on various forms of Pliek u based on its thickness and fermentation time using the Analytical Hierarchy Process (AHP). The product was assessed for certain sensory parameters, such as color, aroma, and taste. According to the preference of the panelists for product acceptance, the sensory criteria with the highest priority weight were taste, aroma, and color at 0.550, 0.230, and 0.219, respectively. The result showed that the highest alternative weight was observed in the Pliek u with a thickness of 30 cm and a fermentation time of 7 days (K3F2) at 0.212, while a thickness of 10 cm and a fermentation time of 3 days (K1F1) were obtained the lowest alternative weight of 0.042. Also, the overall consistency value of Pliek u sensory taste was 0.02, which was acceptable since it was less than the pairwise consistency level of 0.1. According to the descriptive test, the best result was obtained by processing Pliek u at a thickness of 30 cm and a fermentation time of 7 days (K3F2), with a light brown color, no rancid odor, and a slightly sour taste. Aroma ; Food science ; Mathematics ; Taste ; Fermentation ; Flesh ; Analytic hierarchy process ; Organoleptic ; Sensory analysis ; Consistency (knowledge bases) ; Odor ; Sensory system ; Chemistry ; Biology Coconut Research and Applications ; Food and Agricultural Sciences ; Natural Products and Applications
Authors: Alikaşifoğlu, Tuna | Bünyamin Kartal | Eray Özgünay | Aykut Koç
Source: arXiv (Cornell University) (preprint, 2022-03-15)
Field: Chemistry — Spectroscopy

Joint Time-Vertex Fractional Fourier Transform Graph signal processing (GSP) facilitates the analysis of high-dimensional data on non-Euclidean domains by utilizing graph signals defined on graph vertices. In addition to static data, each vertex can provide continuous time-series signals, transforming graph signals into time-series signals on each vertex. The joint time-vertex Fourier transform (JFT) framework offers spectral analysis capabilities to analyze these joint time-vertex signals. Analogous to the fractional Fourier transform (FRT) extending the ordinary Fourier transform (FT), we introduce the joint time-vertex fractional Fourier transform (JFRT) as a generalization of JFT. The JFRT enables fractional analysis for joint time-vertex processing by extending Fourier analysis to fractional orders in both temporal and vertex domains. We theoretically demonstrate that JFRT generalizes JFT and maintains properties such as index additivity, reversibility, reduction to identity, and unitarity for specific graph topologies. Additionally, we derive Tikhonov regularization-based denoising in the JFRT domain, ensuring robust and well-behaved solutions. Comprehensive numerical experiments on synthetic and real-world datasets highlight the effectiveness of JFRT in denoising and clustering tasks that outperform state-of-the-art approaches. Vertex (graph theory) ; Fourier transform ; Fractional Fourier transform ; Spectral graph theory ; Mathematics ; Graph ; Fourier analysis ; Algorithm ; Discrete mathematics ; Mathematical analysis ; Line graph ; Graph power Molecular spectroscopy and chirality ; Sphingolipid Metabolism and Signaling ; Optical Network Technologies
Authors: Matthew Witman | Sanliang Ling | Matthew D. Wadge | Anis Bouzidi | Nayely Pineda-Romero | Rebecca Clulow | Gustav Ek | Jeffery M. Chames | Emily J. Allendorf | Sapan Agarwal | Mark D. Allendorf | Gavin S. Walker | David M. Grant | Martin Sahlberg | Claudia Zlotea | Vitalie Stavila
Source: ChemRxiv (preprint, 2022-12-01)
Field: Materials Science — Materials Chemistry

Towards Pareto optimal high entropy hydrides via data-driven materials discovery The ability to rapidly screen material performance in the vast space of compositionally complex (high entropy) alloys is of critical importance to efficiently identify optimal hydride candidates for various use cases. Given the prohibitive complexity of first principles simulations and large-scale sampling required to rigorously predict hydrogen equilibrium in these systems, we turn to compositional machine learning models as the most feasible approach to screen on the order of 10,000s of candidate equimolar alloys. We critically show that machine learning models can predict hydride thermodynamics and capacities with reasonable accuracy and that explainability analyses capture the competing trade-offs that arise from feature interdependence. We can therefore elucidate the multi-dimensional Pareto optimal set of materials (i.e., where two or more competing objective properties can't be simultaneously improved) and provide rapid and efficient down-selection of the highest priority candidates for more time-consuming density functional theory investigations and experimental validation. Selected target materials were experimentally synthesized, characterized, and tested amongst an international collaboration group to validate the proposed novel hydrides. Additional top-predicted candidates are suggested to the community for future synthesis efforts, and we conclude with an outlook on improving the current approach for the next generation of computational HEA hydride discovery efforts. Entropy (arrow of time) ; Hydride ; Computer science ; Pareto optimal ; Pareto principle ; Set (abstract data type) ; Multi-objective optimization ; Machine learning ; Mathematical optimization ; Hydrogen ; Thermodynamics ; Mathematics ; Chemistry ; Physics Nuclear Materials and Properties ; Machine Learning in Materials Science ; Hydrogen Storage and Materials
Authors: Vladimir Poborchii | Vitalii Petranovskii | I.A. Glukhov | Andrei A. Fotiadi
Source: Microporous and Mesoporous Materials (article, 2022-12-07)
Field: Materials Science — Materials Chemistry

Optical study of oriented double-Se8-ring clusters and luminescent Se2− anions in LTA at extremely high selenium loading density Sodalite ; Luminescence ; Raman spectroscopy ; Chemistry ; Crystallography ; Adsorption ; Selenium ; Analytical Chemistry (journal) ; Materials science ; Optics ; Physical chemistry ; Optoelectronics ; Zeolite Luminescence Properties of Advanced Materials ; Solid-state spectroscopy and crystallography ; Crystal Structures and Properties
Authors: Elliot Rossomme | William Hart‐Cooper | William J. Orts | Colleen McMahan | Martin Head‐Gordon
Source: ChemRxiv (preprint, 2022-11-21)
Field: Materials Science — Polymers and Plastics

Computational studies of rubber ozonation explain the effectiveness of 6PPD as an antidegradant and the mechanism of its quinone formation The discovery that the commercial rubber antidegradant 6PPD reacts with ozone (\ce{O3}) to produce a highly toxic quinone (6PPDQ) spurred a significant research effort into non-toxic alternatives. Identification of non-toxic alternatives has been hampered by lack of a detailed understanding of the mechanism of protection that 6PPD affords rubber compounds against ozone. Herein, we report high-level density functional theory studies into early steps of rubber and PPD ($p$-phenylenediamine) ozonation, identifying key steps that contribute to the antiozonant activity of PPDs. In this, we establish that our density functional theory approach can achieve chemical accuracy for many ozonation reactions, which are notoriously difficult to model. Using adiabatic energy decomposition analysis, we examine and dispel the notion that one-electron charge transfer initiates ozonation in these systems, as is sometimes argued. Instead, we find direct interaction between \ce{O3} and PPD carbon atoms is kinetically accessible, and that this motif is more significant than interactions with PPD nitrogens. The former pathway results in a hydroxylated PPD intermediate, which reacts further with \ce{O3} to afford 6PPD hydroquinone and, ultimately, 6PPDQ. This mechanism directly links the toxicity of 6PPDQ to the antiozonant function of 6PPD. These results have significant implications for development of alternative antiozonants, which are discussed. Hydroquinone ; Quinone ; Chemistry ; Natural rubber ; Computational chemistry ; Ozone ; Density functional theory ; Adiabatic process ; Combinatorial chemistry ; Mechanism (biology) ; Decomposition ; Biochemical engineering ; Photochemistry ; Stereochemistry ; Organic chemistry ; Thermodynamics ; Physics Polymer Science and PVC ; Thermal and Kinetic Analysis
Authors: Idris Shehu | Rashidah Abdul Rahim | Ahmad Nazri Saidin | Amirul Al‐Ashraf Abdullah
Source: Polymers (article, 2022-12-26)
Field: Materials Science — Biomaterials

Bioconversion of Used Transformer Oil into Polyhydroxyalkanoates by Acinetobacter sp. Strain AAAID-1.5 In this research, the utilisation of used transformer oil (UTO) as carbon feedstock for the production of polyhydroxyalkanoate (PHA) was targeted; with a view to reducing the environmental challenges associated with the disposal of the used oil and provision of an alternative to non-biodegradable synthetic plastic. <i>Acinetobacter</i> sp. strain AAAID-1.5 is a PHA-producing bacterium recently isolated from a soil sample collected in Penang, Malaysia. The PHA-producing capability of this bacterium was assessed through laboratory experiments in a shake flask biosynthesis under controlled culture conditions. The effect of some biosynthesis factors on growth and polyhydroxyalkanoate (PHA) accumulation was also investigated, the structural composition of the PHA produced by the organism was established, and the characteristics of the polymer were determined using standard analytical methods. The results indicated that the bacteria could effectively utilise UTO and produce PHA up to 34% of its cell dry weight. Analysis of the effect of some biosynthesis factors revealed that the concentration of carbon substrate, incubation time, the concentration of yeast extract and utilisation of additional carbon substrates could influence the growth and polymer accumulation in the test organism. Manipulation of culture conditions resulted in an enhanced accumulation of the PHA. The data obtained from GC-MS and NMR analyses indicated that the PHA produced might have been composed of 3-hydroxyoctadecanoate and 3-hydroxyhexadecanoate as the major monomers. The physicochemical analysis of a sample of the polymer revealed an amorphous elastomer with average molecular weight and polydispersity index (PDI) of 110 kDa and 2.01, respectively. The melting and thermal degradation temperatures were 88 °C and 268 °C, respectively. The findings of this work indicated that used transformer oil could be used as an alternative carbon substrate for PHA biosynthesis. Also, <i>Acinetobacter</i> sp. strain AAAID-1.5 could serve as an effective agent in the bioconversion of waste oils, especially UTO, to produce biodegradable plastics. These may undoubtedly provide a foundation for further exploration of UTO as an alternative carbon substrate in the biosynthesis of specific polyhydroxyalkanoates. Polyhydroxyalkanoates ; Cupriavidus necator ; Food science ; Bioconversion ; Bacteria ; Polyhydroxybutyrate ; Bioplastic ; Raw material ; Chemistry ; Biochemistry ; Organic chemistry ; Biology ; Fermentation biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Microplastics and Plastic Pollution
Authors: Sharifah Norsakinah Syed Zainal Abidin | Wan Hamzah Azmi | N.N.M. Zawawi | Anwar Ilmar Ramadhan
Source: Automotive Experiences (article, 2022-06-07)
Field: Materials Science — Polymers and Plastics

Comprehensive Review of Nanoparticles Dispersion Technology for Automotive Surfaces Many innovations arose from the continual and thorough monitoring of overlooked characteristics of materials found in the environment. Automotive paints are always constantly exposed to a broad range of ambient temperature conditions, which reduces their longevity and encourages algae development. Through the effective incorporation of nanotechnology with this lotus effect, it has become possible to provide self-cleaning ability along with air purification and antibacterial performance to automotive surfaces like paint and coating. The addition of nanoparticles such as Titanium dioxide (TiO2) and Silicon dioxide (SiO2) helps to improve functionalities like water or stain resistance, ultra-violet protection, and scratch resistance. When the nanoparticles were added into paint, they degraded the polluting compounds on the material's surface by photo catalysis. Multiple photocatalytic functions and self-cleaning properties were observed in nanoparticles added to polyester acrylic paint. Therefore, this paper discussed the history of automotive painting, nanopaint technology, previous research on the method preparation, development, and current progress, the environmental health aspects of nanotechnology, as well as the performance in terms of automotive surfaces. The study discovered the requirements for nanoparticle dispersion and coating uniformity and appearance on automotive surfaces, which will serve as a benchmark for dispersion and coating methods for automotive surfaces. Automotive industry ; Materials science ; Coating ; Nanoparticle ; Nanotechnology ; Titanium dioxide ; Silicon dioxide ; Dispersion (optics) ; Photocatalysis ; Composite material ; Catalysis ; Engineering ; Chemistry Polymer Nanocomposite Synthesis and Irradiation ; Nanoparticles: synthesis and applications ; Polymer Nanocomposites and Properties
Authors: Bartosz Leśniewski | Martyna Kotula | Anita Kubiak | Martyna Pajewska -Szmyt | P Leali | A Merolli | H Ehrlich | D Stawski | Eds | E Gil | S Park | X Hu | P Cebe | D Kaplan | M Lucke | G Winter | J Engert | W Rogers | Q Zhou | E Malm | H Nilsson | P Larsson | T Iversen | L Berglund | V Bulone | M Meyers | A Lin | Y Seki | P Chen | B Kad | S Bodde | J Mckittrick | A Morales | J Labidi | P Gulln | G Astray | B Lazarus | A Velasco-Hogan | T Gmez-Del Ro | I Jasiuk | R Naik | S Singamaneni | I Petrenko | A Summers | P Simon | S towska-Aksamitowska | M Motylenko | C Schimpf | D Rafaja | F Roth | K Kummer | E Brendler | E Bailey | M Wysokowski | T Jesionowski | D Tsurkan | D Inosov | A Makarova | I Stepniak | J Bischof | X He | L Cabrales | N Abidi | S Rabiej | L Herczyska | Z Draczyski | H Ng | N Saidi | F Omar | K Ramesh | S Ramesh | S Bashir | T Wanjun | W Cunxin | C Donghua | M Poletto | H Ornaghi Jnior | A Zattera | F D'acierno | W Hamad | C Michal | M Maclachlan | L Dai | J Nan | X Tu | L He | B Wei
Source: Letters in Applied NanoBioScience (article, 2022-05-22)
Field: Materials Science — Biomaterials

Thermostability of Selected Biological Materials Thermostability is a crucial property of biological materials, especially in the case of their potential application in materials science, including such novel directions as Extreme Biomimetics. This approach includes research at high temperatures without destroying the 3D structure of selected biological materials that allow the development of novel nanostructured composites. Consequently, this article presents an overview of the characterization of such biomaterials as chitin, chitosan, spongin, collagen, keratin, silk, byssus, and conchiolin in the contest of their structure and thermostability with respect to future potential applications. The review also highlights the instrumental techniques used for thermal analysis of materials – thermogravimetric methods. The review covered the latest achievements in the issue of thermostability research of natural, renewable materials, and the information presented in this paper may be valuable in future practical studies. Thermostability ; Biomimetic materials ; Biochemical engineering ; Nanotechnology ; Biological materials ; Materials science ; Engineering ; Chemistry Silk-based biomaterials and applications ; Collagen: Extraction and Characterization ; Dyeing and Modifying Textile Fibers
Authors: Maha F. Abbass | Salah Al-Shukri | Ahmed A. Ahmed
Source: GSC Advanced Research and Reviews (article, 2022-03-20)
Field: Materials Science — Polymers and Plastics

Selective mono substitution of cyclotri-phosphazene by 2-Hydroxyethylacrylate producing new acrylate cyclo-triphosphazene In this work, new acrylate cyclotriphosphazene moiety (PN-A) was successfully synthesized starting from cyclotriphosphazene (PN) compound. This compound reacted with 2-hydroxyethylacrylate utilizing 1:1 mole ratio to increase the priority of one substitution reaction and forming PN-A molecule. The crud product was purified by recrystallization using n-hexane and column chromatography using cyclohexane: ethyl acetate 60:40 mL ratio as eluent. The obtained pure target product was characterized using FTIR, 1H NMR, 13C NMR, and 31P NMR techniques. All spectra demonstrates the chemical structure of the product hence the showed all required peaks to identify it. Column chromatography ; Phosphazene ; Moiety ; Cyclohexane ; Carbon-13 NMR ; Chemistry ; Hexane ; Proton NMR ; Ethyl acrylate ; Acrylate ; Molecule ; Polymer chemistry ; Organic chemistry ; Monomer ; Polymer Flame retardant materials and properties ; Organophosphorus compounds synthesis
Authors: Anastasia S. Belova | Arevik G. Khchoyan | T. M. Il’ina | Yuriy N. Kononevich | Д. С. Ионов | V. A. Sazhnikov | Д. А. Ханин | Galina G. Nikiforova | В. Г. Васильев | Aziz M. Muzafarov
Source: Polymers (article, 2022-11-23)
Field: Materials Science — Materials Chemistry

Polydimethylsiloxanes with Grafted Dibenzoylmethanatoboron Difluoride: Synthesis and Properties A method for the preparation of polydimethylsiloxanes with grafted methoxy-substituted dibenzoylmethanatoboron difluoride has been described. The structures of prepared polymers were confirmed using NMR, IR spectroscopy and gel permeation chromatography methods. Their thermal properties were investigated using thermal gravimetric analysis, differential scanning calorimetry and thermomechanical analysis. The prepared polymers had good thermal (Td5% up to 393 °C) and thermo-oxidative (Td5% = 413 °C) stability. The polymers started to transit in a viscous flow state at about 40 °C (for 3 a) and at about 20 °C (for 3 b). The viscoelastic characteristics of prepared polymers were determined in the sinusoidal oscillating vibrations mode. It was shown that the studied polymers at low frequencies at room temperature are viscoelastic fluids (G′ < G″). Increasing the frequency led to inversion (crossover) of dependences G′ and G″, which indicated the transition of polymers from viscous to elastomeric behavior characteristics, and the beginning of the formation of a physical network. Optical properties were studied using electron absorption, steady-state and time-resolved fluorescence spectroscopy. It was shown that intramolecular H-dimers exist in the ground state. The polymers studied had a bright fluorescence in the solution and in the solid state, consisting of bands of monomer and excimer emission. Thermally-activated delayed fluorescence was observed in the solution and the solid state. The prepared polymers possess intriguing properties that make them useful as optical materials, sensors or imaging agents. Polymer ; Materials science ; Differential scanning calorimetry ; Thermal stability ; Glass transition ; Polymer chemistry ; Fluorescence spectroscopy ; Thermogravimetric analysis ; Excimer ; Viscoelasticity ; Dynamic mechanical analysis ; Chemical engineering ; Fluorescence ; Chemistry ; Composite material ; Organic chemistry ; Thermodynamics Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Conducting polymers and applications
Authors: SARANYA DHASARATHAN | SELVARAJ SHUNMUGAPERUMAL | P. KAMATCHI SELVARAJ
Source: TURKISH JOURNAL OF CHEMISTRY (article, 2022-01-01)
Field: Chemistry — Spectroscopy

Synthesis of polydentate, multi metal ion sensing, unsymmetrical Schiff bases with complimented antifungal activity Polydentate, unsymmetrical, and multi metal ion sensing Schiff bases comprised of ferrocenecarboxaldehyde attached azomethine group at one side and aromatic aldehyde linked imine on the other side have been synthesized. Cumulative addition of different metal salts solution to receptors solution, changes the electronic spectra contrarily and for the addition of Cu<sup>2+</sup> ions, generation of MLCT charge transfer band responsible for the coordination of metal ion with a receptor is observed. Electrochemical data (ΔE<sub>p</sub>) arrived from the cyclic voltammograms suggest a quasi-reversible process. The modest concentration of metal ions required for effective sensing by the sensory material is calculated from the I<sub>pa</sub> values observed for metal ion added and metal free sensor solutions. Inhibition zones noticed in in vitro analysis for two fungi, two gram positive and two gram negative bacterial stains interpret that the new compounds possess high antifungal activity. Binding energy calculation using molecular docking software also ascertains the antifungal bustle. Chemistry ; Denticity ; Metal ; Metal ions in aqueous solution ; Antifungal ; Schiff base ; Imine ; Ion ; Electrochemistry ; Aldehyde ; Combinatorial chemistry ; Inorganic chemistry ; Stereochemistry ; Organic chemistry ; Electrode ; Physical chemistry Molecular Sensors and Ion Detection ; Antimicrobial agents and applications ; Metal complexes synthesis and properties