jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Chowa Ram Sahu | Satyananda Basak
Source: Bhartiya Krishi Anusandhan Patrika (article, 2024-12-27)
Field: Chemistry — Analytical Chemistry

Performance Comparison of Time Delay Neural Network and Support Vector Regression for Forecasting of Jute Prices in Coochbehar District, West Bengal Background: In recent times, Machine Learning approaches have gained significant traction in modelling non-linearity features in the field of time series forecasting. In the present investigation, the nonstationary, nonlinearity and non-normality features of the jute price series at the three different commodity markets are dealt using the Machine Learning models. Methods: An attempt has been made to explore efficient Machine Learning (ML) techniques e.g., Time-Delay Neural Network (TDNN) and Support Vector Regression (SVR) for modelling weekly jute prices in different markets of the Coochbehar district (West Bengal). The nonlinearity pattern of the price series is tested by the Brock-Dechert-Scheinkman (BDS) test. Result: The results of present study show that nonlinearity is present in the jute price series. Accordingly, the TDNN and SVR models have been applied for modelling and forecasting the nonlinearity of the jute prices. Finally, the TDNN(1:1s:1l), TDNN(10:1s:1l) and TDNN (2:1s:1l) models are outperformed SVR models in the Coochbehar, Baxirhat and Tufanganj markets, respectively in terms of minimum RMSE (157.61, 176.32 and 136.03), MAE (94.11, 95.67 and 90.45) and MAPE (1.51, 1.54 and 1.41) criteria. Hence, the TDNN model is regarded as the best optimal model for forecasting the jute prices in the Coochbehar district. West bengal ; Artificial neural network ; Support vector machine ; BENGAL ; Regression analysis ; Regression ; Statistics ; Mathematics ; Veterinary medicine ; Computer science ; Artificial intelligence ; Engineering ; Medicine ; Socioeconomics ; Civil engineering ; Economics Spectroscopy and Chemometric Analyses
Authors: Evgenia V. Antipina | Светлана Мустафина | A. F. Antipin
Source: Vestnik Tomskogo gosudarstvennogo universiteta Upravlenie vychislitel naya tekhnika i informatika (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Optimal control of the catalytic reaction process The article is devoted to the development of an algorithm for determining the optimal operating parameters of a catalytic reaction. Statements of optimal control problems are formulated, in which the temperature and time of the reaction act as control parameters. To solve them, a genetic algorithm with real coding is given. The efficiency of the algorithm is confirmed by the results of numerical experiments for the ethylene oligomerization reaction. Catalysis ; Process (computing) ; Process engineering ; Computer science ; Process management ; Chemistry ; Business ; Engineering ; Organic chemistry Zeolite Catalysis and Synthesis ; Advanced Control Systems Optimization
Authors: Amogh Raju | Divya Hungund | Dan Krueger | Zuoming Dong | Zarko Sakotic | Agham Posadas | Alex Demkov | Daniel Wasserman
Source:  (preprint, 2024-11-08)
Field: Materials Science — Materials Chemistry

High-Q Ring Resonators in Low-Loss Monolithic Barium Titanate on Silicon We investigate loss mechanisms in monolithic photonic structures fabricated from barium titanate grown epitaxially by RF-sputtering on silicon-on-insulator substrates. We characterize barium titanate waveguide loss using three photonic architectures, and demonstrate straight waveguide loss of less than 0.15 dB/cm, well below previously published loss measurements of barium titanate-containing waveguiding structures. Additionally, we demonstrate high-Q barium titanate resonators with quality factors of 𝑄 ∼ 100, 000. The low loss of the barium titanate photonic structures, coupled with barium titanate’s large non-linear optical response offers a path to compact and high efficiency barium titanate photonic devices and structures for high-speed modulation, optical computing, and non-linear applications. Silicon ; Barium titanate ; Materials science ; Resonator ; Barium ; Ring (chemistry) ; Optoelectronics ; Condensed matter physics ; Physics ; Metallurgy ; Chemistry ; Dielectric Ferroelectric and Piezoelectric Materials ; Photorefractive and Nonlinear Optics ; Photonic and Optical Devices
Authors: Binsheu Shieh | Ryo Masuda | Satoshi Tsutsui | Shun Katakami | Kenji Nagata | Masaichiro Mizumaki | Masato Okada
Source: arXiv (Cornell University) (preprint, 2024-04-22)
Field: Materials Science — Surfaces, Coatings and Films

Basis Function Dependence of Estimation Precision for Synchrotron-Radiation-Based Mössbauer Spectroscopy Mössbauer spectroscopy is a technique employed to investigate the microscopic properties of materials using transitions between energy levels in the nuclei. Conventionally, in synchrotron-radiation-based Mössbauer spectroscopy, the measurement window is decided by the researcher heuristically, although this decision has a significant impact on the shape of the measurement spectra. In this paper, we propose a method for evaluating the precision of the spectral position by introducing Bayesian estimation. The proposed method makes it possible to select the best measurement window by calculating the precision of Mössbauer spectroscopy from the data. Based on the results, the precision of the Mössbauer center shifts improved by more than three times compared with the results achieved with the conventional simple fitting method using the Lorentzian function. Synchrotron radiation ; Spectroscopy ; Function (biology) ; Synchrotron ; Basis (linear algebra) ; Nuclear magnetic resonance ; Materials science ; Computational physics ; Physics ; Optics ; Mathematics ; Biology Electron and X-Ray Spectroscopy Techniques ; X-ray Spectroscopy and Fluorescence Analysis ; Advanced X-ray Imaging Techniques
Authors: Celia R. Tomachuk
Source: LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas) (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Revisão de potenciais substitutos sustentáveis para revestimentos de aço galvanizado: avanços e desafios Troubleshooting ; Quality (philosophy) ; Welding ; Work (physics) Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Concrete and Cement Materials Research
Authors: Futian Xu | Haifei Zhan | Yuantong Gu | Shuyong Duan | Zirui Li
Source: Thin-Walled Structures (article, 2024-08-22)
Field: Materials Science — Materials Chemistry

Torsional properties of spiral carbon nanocones Spiral (railway) ; Materials science ; Composite material ; Carbon fibers ; Engineering ; Mechanical engineering ; Composite number Carbon Nanotubes in Composites ; Graphene research and applications ; Graphene and Nanomaterials Applications
Authors: Qiuyu Han | Tomoyuki Koyama | Shugo Watabe | Shoichiro Ishizaki
Source: Molecules (article, 2024-05-27)
Field: Materials Science — Biomaterials

Functional and Structural Properties of Type V Collagen from the Skin of the Shortbill Spearfish (Tetrapturus angustirostris) Type V collagen is considered to be a crucial minor collagen in fish skin with unique physiological functions. In this research, the cDNAs of three procollagens (Tacol5a1, Tacol5a2, and Tacol5a3) in type V collagen were cloned from the skin of shortbill spearfish (<i>Tetrapturus angustirostris</i>). The open reading frames (ORFs) of Tacol5a1, Tacol5a2, and Tacol5a3 contained 5991, 4485, and 5607 bps, respectively, encoding 1997, 1495, and 1869 amino acid residues. Each of the deduced amino acid sequences of procollagens contained a signal peptide and a fibrillar collagen C-terminal domain (COLFI). A conserved thrombospondin-like N-terminal domain (TSPN) was found at the N-terminus of Tacol5a1 and 5a3 procollagens, whereas a von Willebrand factor (VWC) was found at the N-terminus of Tacol5a2 procollagen. Tacol5a1, Tacol5a2, and Tacol5a3 had their theoretical isoelectric points of 5.06, 6.75, and 5.76, respectively, and predicted molecular weights of 198,435.60, 145,058.48, and 189,171.18, respectively. The phylogenetic tree analysis revealed that Tacol5a1 of shortbill spearfish clustered with that of yellow perch (<i>Perca flavescens</i>) instead of broadbill swordfish (<i>Xiphias gladius</i>). In addition, type V collagen was extracted from the shortbill spearfish skin. The <i>in silico</i> method demonstrated that shortbill spearfish type V collagen has a high potential for angiotensin-converting enzyme (ACE) inhibition activity (79.50%), dipeptidyl peptidase IV inhibition (74.91%) activity, and antithrombotic activity (46.83%). The structural clarification and possible functional investigation in this study provide the foundation for the applications of exogenous type V collagen derived from fish sources. Chemistry ; Molecular biology ; Amino acid ; Biochemistry ; Peptide sequence ; Thrombospondin ; Biology ; Enzyme ; Gene ; Metalloproteinase Collagen: Extraction and Characterization ; Protease and Inhibitor Mechanisms ; Protein Hydrolysis and Bioactive Peptides
Authors: Ekaterina S. Barteneva | Pavel Y. Andreev | Elena V. Grekhneva | Kirill S. Efanov
Source:  (article, 2024-11-14)
Field: Chemistry — Spectroscopy

Study of the Stability, Solubility and Geometry of the Complex of Inclusion β-CD with Nimesulide by Computer Chemistry Methods During this study, a molecular system was modeled: a nimesulide, β-cyclodextrin, inclusion complex. The use of the Gaussian 16W software package allowed us to optimize geometry and determine the thermochemical characteristics of molecular systems without considering a solvent. And this was also carried out in water media, accounted for by the polarized continuum model (PCM). To confirm the accuracy of the geometry of the β-cyclodextrin molecule, a structural alignment of 46 β-cyclodextrin molecules, accessible by a corresponding search query in the RCSB database, was performed. The RSMD values of carbon and oxygen atom deviations, as well as the total number of atoms aligned, were calculated. This calculation showed a complete conformational coincidence between the β-cyclodextrin structure designed by us and the RCSB database structures. This ensures the correct approach to subsequent calculations involving this structure. Quantum-mechanical modeling of the relationship was carried out in several stages with a gradual complexity of the basic set. The hybrid method of functional density B3LYP and 6-31G(d) was used. At the end of the calculation stage, on the surface of the studied complex, the potential energy of several minimal elements was detected. This means that there are several conformational forms of the molecular system with likely differences. The change in potential energies of the investigated compounds, caused by their application to optimize the in vacuum molecules of the PCM, allowed us to determine the values of the solvatization energies. The greater magnitude of these values in the complex under consideration indicates its better solubility in water compared to nimesulide. Nimesulide ; Solubility ; Stability (learning theory) ; Inclusion (mineral) ; Chemistry ; Computer science ; Chemical engineering ; Physical chemistry ; Engineering ; Mineralogy ; Biochemistry ; Machine learning Analytical Chemistry and Chromatography ; Crystallization and Solubility Studies ; Drug Solubulity and Delivery Systems
Authors: Nemailal Tarafder
Source:  (article, 2024-04-08)
Field: Materials Science — Polymers and Plastics

Recent Technology Developments in Textile Industry Landscape in textiles for India is changing greatly due to technological development. There are huge numbers of mills in India that have integrated process flow right from spinning operation to apparel manufacturing. Digital transformation is bridging the gap between technology and textiles. High-fibre fabrics production is capable only with the implementation of modern solutions. Technology in textile industry has improved processes and making fabrics production more efficiently. Recent developments in technology in textiles show that textile and fashion segment will continue to evolve with the continuous innovations. Technology developed to enable vibrant imaging on fabrics and alterations to be done with a simple click on mouse. With the latest technological developments and innovations, the apparel industry is undergoing with interested changes. In the modern textile designs, digital photo types are used as an essential tool. Varieties of IoT sensors are used to collect persons’ biometric data for the purpose of effective health and activity monitoring. Textile ; Textile industry ; Business ; Engineering ; Manufacturing engineering ; Commerce ; Geography ; Archaeology Textile materials and evaluations
Authors: Doğa Gürsoy | Dina Sheyfer | Michael Wojcik | Wenjun Liu | Jonathan Z. Tischler
Source: arXiv (Cornell University) (preprint, 2024-05-21)
Field: Materials Science — Surfaces, Coatings and Films

Optimizing Coded-Apertures for Depth-Resolved Diffraction Coded apertures, traditionally employed in x-ray astronomy for imaging celestial objects, are now being adapted for micro-scale applications, particularly in studying microscopic specimens with synchrotron light diffraction. In this paper, we focus on micro-coded aperture imaging and its capacity to accomplish depth-resolved micro-diffraction analysis within crystalline specimens. We study aperture specifications and scanning parameters by assessing characteristics like size, thickness, and patterns. Numerical experiments assist in assessing their impact on reconstruction quality. Empirical data from a Laue diffraction microscope at a synchrotron undulator beamline supports our findings. Overall, our results offer key insights for optimizing aperture design in advancing micro-scale diffraction imaging at synchrotrons. This study contributes insights to this expanding field and suggests significant advancements, especially when coupled with the enhanced flux anticipated from the global upgrades of synchrotron sources. Diffraction ; Optics ; Computer science ; Geology ; Remote sensing ; Physics Optical Coatings and Gratings ; Image Processing Techniques and Applications ; Advanced Optical Imaging Technologies
Authors: Pratik Goswami | J.L. Di Cesare | Michaella J. Levy | Zachary Clark | Janet M. Thornton | Michael P. Washburn
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-12-02)
Field: Chemistry — Spectroscopy

Analysis of FAIMS for the Study of Affinity-Purified Protein Complexes Using the Orbitrap Ascend Tribrid Mass Spectrometer In this study, we analyzed the combination of affinity purification mass spectrometry (AP-MS) with high-field asymmetric waveform ion mobility spectrometry (FAIMS), integrated between nanoLC-MS and an Orbitrap Ascend Tribrid Mass Spectrometer. Our primary objective was to evaluate the application of the FAIMS interface for detecting affinity purified SAP25 protein complexes with enhanced sensitivity and robustness. As a result, we observed that nanoLC-FAIMS-MS (with FAIMS) significantly improved the sensitivity and detection limits at the protein level, peptide level and significantly reduced chemical contaminants compared to nanoLC-MS alone without FAIMS (No FAIMS). This FAIMS configuration resulted in 42% and 92% increases for the total proteins and unique proteins, respectively, and 44% and 88% increases for total peptides and unique peptides compared to the No FAIMS configuration. Our in-depth comparison of FAIMS and No FAIMS shows that FAIMS outperforms by significantly reducing the missing value by <15% in datasets and plays a significant role in filtering chemical contaminants. Our findings highlight the potential of FAIMS with Orbitrap Ascend Tribrid Mass Spectrometer to enhance the depth of AP-MS analysis. The data were deposited with the MASSIVE repository with the identifier MSV000096548. Orbitrap ; Chemistry ; Mass spectrometry ; Chromatography Advanced Proteomics Techniques and Applications
Authors: Ibnu Rosyid Al Hassany | Akhmad Nurdin | Lutiyatmi Lutiyatmi | Fajar Paundra
Source: Teknika (article, 2024-04-30)
Field: Materials Science — Materials Chemistry

ANALISIS KEKUATAN TARIK DAN KEKUATAN LULUH PELEBURAN ALUMINIUM PISTON BEKAS BERDASARKAN NILAI KEKERASANNYA UNTUK APLIKASI MATERIAL KAKI PALSU Produk kaki palsu yang beredar di Indonesia saat ini, mayoritas produk impor dan terbuat dari material stainless steel. Meskipun memiliki beberapa keunggulan, tetapi harga dan biaya produksinya relatif mahal. Sehingga perlu diinisiasi material lain, agar harga kaki palsu lebih terjangkau. Adapun salah satu alternatif materialnya ialah Aluminium. Material Aluminium dapat dipenuhi dengan daur ulang Aluminium bekas. Pada penelitian ini dilakukan studi kekuatan tarik dan kekuatan luluh peleburan ulang Aluminium piston bekas yang didasarkan pada nilai kekerasannya. Bahan penelitian ialah Aluminium berasal dari piston bekas kendaraan besar (bus atau truk) yang dicampur dengan Aluminium silikon 20%. Spesimen dengan target kandungan silikon (Si) 12%, 14%, dan 16%, dicetak menggunakan cetakan pasir dengan metode closed mold casting. Uji kekerasan Brinell mengacu pada ASTM E10-15. Acuan kelayakan hasil peleburan sebagai alternatif material ialah kekuatan luluhnya harus lebih besar dari tegangan maksimum pada kaki palsu yaitu sebesar 153 N/mm2. Kekerasan rata–rata untuk sampel Si 12%, Si 14%, dan Si 16% berturut–turut ialah 87,35 HB, 101,01 HB, dan 112,03 HB. Kekuatan tarik untuk sampel Si 12%, Si 14%, dan Si 16% ialah 125,30 N/mm2, 175,33 N/mm2, dan 215,44 N/mm2. Adapun kekuatan luluh sampel Si 12%, Si 14%, dan Si 16% ialah 80,02 N/mm2, 112,75 N/mm2, dan 138,47 N/mm2. Hasil peleburan untuk ketiga sampel belum bisa diaplikasikan untuk material kaki palsu, karena kekuatan luluh lebih rendah dari tegangan maksimum yang terjadi. Physics ; Nuclear chemistry ; Aluminium ; Metallurgy ; Materials science ; Chemistry Material Selection and Properties ; Aluminum Alloys Composites Properties ; Mechanical Engineering and Vibrations Research
Authors: Pavithra Hemachandra | László Bencs | Zsolt Ajtony
Source: BIO Web of Conferences (review, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Application of atomic spectroscopy for trace element analysis of fruit juices: A review Trace elements are crucial for human nutrition, requiring their precise analysis in fruit juices to ensure product quality and assess contamination risks. Atomic spectroscopy techniques including inductively coupled plasma mass spectrometry (ICP-MS), inductively coupled plasma optical emission spectrometry (ICP-OES), graphite furnace atomic absorption spectrometry (GFAAS), flame atomic absorption spectrometry (FAAS), atomic fluorescence spectrometry (AFS), X-ray fluorescence spectrometry (XRF), and glow discharge optical emission spectrometry (GD-OES) are sensitive, selective and versatile tools for trace element analysis of various solid and solution samples. Matrix modifiers, sample introduction and sample preparation methods are pivotal for improving the accuracy and mitigating matrix interferences. Further advancements in instrumentation are essential. This review provides a comprehensive overview of these techniques, highlighting their principles, advantages, limitations and future research directions in fruit juice analysis. Its global applications, focusing on As, Cd, Co, and Pb, along with sample preparation methods, element concentrations, detection limits, and recovery values, have been explored. Trace element ; TRACE (psycholinguistics) ; Spectroscopy ; Atomic spectroscopy ; Chemistry ; Analytical Chemistry (journal) ; Materials science ; Environmental chemistry ; Physics ; Metallurgy ; Philosophy ; Astronomy ; Linguistics Heavy Metals in Plants ; Heavy metals in environment ; Analytical chemistry methods development
Authors: Yinuo Li | Sabrina Clusiau | Pascal Gauthier | Nicolas Piché | Colin M. MacRae | Raynald Gauvin
Source: Microscopy and Microanalysis (article, 2024-07-01)
Field: Materials Science — Metals and Alloys

Quantification of Intermetallic Compounds in Aluminum 6061 Alloy with Electron Microscopy Intermetallic ; Alloy ; Materials science ; Electron microscope ; Aluminium ; Metallurgy ; Microscopy ; Optics ; Physics Hydrogen embrittlement and corrosion behaviors in metals ; Aluminum Alloy Microstructure Properties ; Corrosion Behavior and Inhibition
Authors: Jane Greenberg | Kio Polson | Scott McClellan | Xintong Zhao | Alex Kalinowski | Yuan An
Source: arXiv (Cornell University) (preprint, 2024-11-01)
Field: Materials Science — Materials Chemistry

Enhancing Semantic Interoperability Across Materials Science With HIVE4MAT HIVE4MAT is a linked data interactive application for navigating ontologies of value to materials science. HIVE enables automatic indexing of textual resources with standardized terminology. This article presents the motivation underlying HIVE4MAT, explains the system architecture, reports on two evaluations, and discusses future plans. Interoperability ; Semantic interoperability ; Computer science ; Data science ; World Wide Web ; Information retrieval ; Knowledge management Machine Learning in Materials Science
Authors: Vladimir I. Folomeev | Svetlana Ganina | Nataliya Eduardovna Astakhova
Source: Izvestiya Wysshikh Uchebnykh Zawedeniy Yadernaya Energetika (article, 2024-06-01)
Field: Materials Science — Materials Chemistry

Interaction of Substitutional and Interstitial Atoms with each other, and with Radiation Defects in Alloys V−Fе under Irradiation with Fast Neutrons .. . Irradiation ; Neutron ; Materials science ; Radiation ; Atomic physics ; Neutron irradiation ; Radiochemistry ; Nuclear physics ; Physics ; Chemistry Fusion materials and technologies ; Nuclear Materials and Properties ; Metallurgical Processes and Thermodynamics
Authors: Mengdi Song | Shuyu He | Xin Li | Ying Liu | Shengrong Lou | Sihua Lu | Limin Zeng | Yuanhang Zhang
Source:  (preprint, 2024-05-02)
Field: Chemistry — Inorganic Chemistry

Supplementary material to "Optimizing Iodide-Adduct CIMS Quantitative Method for Toluene Oxidation Intermediates: Experimental Insights into Functional Group Differences" Toluene ; Adduct ; Iodide ; Group (periodic table) ; Chemistry ; Functional group ; Organic chemistry ; Computer science Radioactive element chemistry and processing ; Catalysis and Oxidation Reactions ; Catalytic Processes in Materials Science