jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yunfeng Liu | Zhengsong Qiu | Chong Zhao | Zhen Nie | Hanyi Zhong | Xin Zhao | Shujie Liu | Xijin Xing
Source: RSC Advances (article, 2020-01-01)
Field: Chemistry — Analytical Chemistry

Characterization of bitumen and a novel multiple synergistic method for reducing bitumen viscosity with nanoparticles and surfactants This paper is concerned with the formation of bitumen during the drilling of the H oilfield in Iraq. The high viscosity and strong adhesion properties of bitumen can influence the drilling operations. Some complex problems include paste screening, and drill pipe sticking, which cause huge economic losses. Therefore, it is necessary to effectively reduce the bitumen viscosity. The contribution of a single subcomponent of bitumen to the viscosity can vary, and the combined effect of different components of bitumen on the viscosity remains unclear. Furthermore, the mechanism of viscosity reduction remains unclear. In this study, the effects of organic solvents on the viscosity of bitumen were studied, and toluene was selected as the best organic solvent. The results showed that aromatics/resins, aromatics/asphaltenes, and resin/asphaltenes can help increase the bitumen viscosity. Novel methods, including the use of nanoparticles, ethyl cellulose, and the quaternary ammonium salt of heptadecenyl hydroxyethyl imidazoline (QASHI), were proposed to decrease the viscosity. TiO<sub>2</sub> and CuO nanoparticles were chosen, and the main factors influencing the viscosity, such as the particle type, concentration, particle size, temperature, and shear rate, were analysed. The results show that the bitumen viscosity decreases with the increase in the concentrations of ethyl cellulose and QASHI. A synergistic effect between ethyl cellulose and QASHI was found with an optimal concentrations of ethyl cellulose and QASHI (1000 and 1600 mg L<sup>-1</sup>). A synergistic effect was also observed when nanoparticles, ethyl cellulose, and QASHI were used in combination. This paper reports the micro-mechanism whereby the viscosity of bitumen is decreased. Asphalt ; Viscosity ; Asphaltene ; Chemical engineering ; Ethyl cellulose ; Rheology ; Cellulose ; Rotational viscosity ; Solvent ; Chemistry ; Reduced viscosity ; Materials science ; Nanoparticle ; Toluene ; Organic chemistry ; Composite material ; Polymer Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Hydrocarbon exploration and reservoir analysis
Authors: Jian Zhang | Hongwei Li | Mei Zhan
Source: Manufacturing Review (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Review on globularization of titanium alloy with lamellar colony The globularization of titanium alloy with lamellar colony during hot working is an important way to obtain fine and homogeneous microstructure which has excellent mechanical properties. Because of its great technological importance, globularization has captured wide attention and much research. This paper conducts a systematic study on state of art on globularization of titanium alloy, which mainly includes globularization mechanism, prediction model and the effects of hot-working parameters and microstructure parameters. Firstly, the shortcomings of the well-known globularization mechanisms (dynamic recrystallization, boundary splitting, shearing mechanism and termination migration) were summarized. Moreover, the comparison and analysis of prediction models were accomplished through tabular form. In addition, the effects of hot-working parameters (strain, strain rate, temperature) and microstructure parameters (alpha/beta interface, geometry necessary dislocation and high temperature parent beta phase) were systematically summarized and analyzed. Meanwhile, this study also explores those difficulties and challenges faced by precise control on globularization. Finally, an outlook and development tendency of globularization of titanium alloy are also provided, which includes microstructure evolution of three-dimensional lamellar alpha, the relationship between lamellar colony and mechanical properties and the effect of severe plastic deformation on globularization. Lamellar structure ; Microstructure ; Materials science ; Titanium alloy ; Shearing (physics) ; Homogeneous ; Dynamic recrystallization ; Deformation (meteorology) ; Hot working ; Alloy ; Metallurgy ; Composite material ; Thermodynamics Microstructure and mechanical properties ; Titanium Alloys Microstructure and Properties ; Metallurgy and Material Forming
Authors: Paul Whaley | Stephen W. Edwards | Andrew D. Kraft | Kate Nyhan | Andrew J. Shapiro | Sean Watford | Steve Wattam | Taylor Wolffe | Michelle Angrish
Source: Environmental Health Perspectives (article, 2020-12-01)
Field: Chemistry — Physical and Theoretical Chemistry

Knowledge Organization Systems for Systematic Chemical Assessments Ontologies are an underexploited element of effective knowledge organization in the environmental health sciences. Agreeing on and implementing ontologies in chemical assessment is a complex but tractable process with four fundamental steps. Successful implementation of ontologies would not only make currently fragmented information about health risks from chemical exposures vastly more accessible, it could ultimately enable computational methods for chemical assessment that can take advantage of the full richness of data described in natural language in primary studies. https://doi.org/10.1289/EHP6994. Data science ; Computer science History and advancements in chemistry ; Biomedical Text Mining and Ontologies
Authors: Antonio Santos‐Rufo | Francisco Javier Mesas‐Carrascosa | Alfonso García-Ferrer | José Emilio Meroño de Larriva
Source: Remote Sensing (article, 2020-10-19)
Field: Chemistry — Analytical Chemistry

Wavelength Selection Method Based on Partial Least Square from Hyperspectral Unmanned Aerial Vehicle Orthomosaic of Irrigated Olive Orchards Identifying and mapping irrigated areas is essential for a variety of applications such as agricultural planning and water resource management. Irrigated plots are mainly identified using supervised classification of multispectral images from satellite or manned aerial platforms. Recently, hyperspectral sensors on-board Unmanned Aerial Vehicles (UAV) have proven to be useful analytical tools in agriculture due to their high spectral resolution. However, few efforts have been made to identify which wavelengths could be applied to provide relevant information in specific scenarios. In this study, hyperspectral reflectance data from UAV were used to compare the performance of several wavelength selection methods based on Partial Least Square (PLS) regression with the purpose of discriminating two systems of irrigation commonly used in olive orchards. The tested PLS methods include filter methods (Loading Weights, Regression Coefficient and Variable Importance in Projection); Wrapper methods (Genetic Algorithm-PLS, Uninformative Variable Elimination-PLS, Backward Variable Elimination-PLS, Sub-window Permutation Analysis-PLS, Iterative Predictive Weighting-PLS, Regularized Elimination Procedure-PLS, Backward Interval-PLS, Forward Interval-PLS and Competitive Adaptive Reweighted Sampling-PLS); and an Embedded method (Sparse-PLS). In addition, two non-PLS based methods, Lasso and Boruta, were also used. Linear Discriminant Analysis and nonlinear K-Nearest Neighbors techniques were established for identification and assessment. The results indicate that wavelength selection methods, commonly used in other disciplines, provide utility in remote sensing for agronomical purposes, the identification of irrigation techniques being one such example. In addition to the aforementioned, these PLS and non-PLS based methods can play an important role in multivariate analysis, which can be used for subsequent model analysis. Of all the methods evaluated, Genetic Algorithm-PLS and Boruta eliminated nearly 90% of the original spectral wavelengths acquired from a hyperspectral sensor onboard a UAV while increasing the identification accuracy of the classification. Hyperspectral imaging ; Partial least squares regression ; Computer science ; Multispectral image ; Remote sensing ; Weighting ; Artificial intelligence ; Feature selection ; Linear discriminant analysis ; Variable elimination ; Pattern recognition (psychology) ; Machine learning Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Remote-Sensing Image Classification
Authors: Masahiko Demura | Toshihiko Koseki
Source: MATERIALS TRANSACTIONS (article, 2020-10-24)
Field: Materials Science — Materials Chemistry

SIP-Materials Integration Projects Materials play key roles to solve social problems. In order to accelerate materials research and development, it is crucial to use the power of cyberspace. This article overviews the concept and current status of Materials Integration (MI), a new concept that was proposed in the first-term Cross-ministerial Strategic Innovation Promotion Program (SIP) “Structural Materials for Innovation” and that has been centered in the second-term SIP “Materials Integration for Revolutionary Design System of Structural Materials.” The concept of MI is to computationally link the material four elements of process, structure, property, and performance for replacing experimental trials and errors in physical space by computational ones in cyberspace. The MI can be characterized by systems approaches and the deep use of data science. The first-term SIP demonstrated the proof of concept for some example problems by developing a computer system containing of computational modules and workflows connecting them. In the second-term SIP, the MI system has been further developed to solve inverse problems, i.e. to design materials and process from a target performance. Moreover, the target materials and processes are expanding to advanced ones used in aerospace and power generation industries as well. The article discusses the outlook of the MI-system based platform for accelerating materials innovation by academia-industry collaboration. Workflow ; Process (computing) ; Aerospace ; Cyberspace ; Systems engineering ; Computer science ; Key (lock) ; Term (time) ; Engineering ; Aerospace engineering ; World Wide Web ; The Internet ; Database ; Computer security Machine Learning in Materials Science ; Advanced Materials Characterization Techniques ; Metallurgical Processes and Thermodynamics
Authors: Saima Kanwal | Jing Wen | Binbin Yu | Chen Xu | Dileep Kumar | Yi Kang | Chunyan Bai | Saima Ubaid | Dawei Zhang
Source: Nanomaterials (article, 2020-07-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Polarization Insensitive, Broadband, Near Diffraction-Limited Metalens in Ultraviolet Region Metasurfaces in the ultraviolet spectrum have stirred up prevalent research interest due to the increasing demand for ultra-compact and wearable UV optical systems. The limitations of conventional plasmonic metasurfaces operating in transmission mode can be overcome by using a suitable dielectric material. A metalens holds promising wavefront engineering for various applications. Metalenses have developed a breakthrough technology in the advancement of integrated and miniaturized optical devices. However, metalenses utilizing the Pancharatnam-Berry (PB) phase or resonance tuning methodology are restricted to polarization dependence and for various applications, polarization-insensitive metalenses are highly desirable. We propose the design of a high-efficiency dielectric polarization-insensitive UV metalens utilizing cylindrical nanopillars with strong focusing ability, providing full phase delay in a broadband range of Ultraviolet light (270-380 nm). The designed metalens comprises Silicon nitride cylindrical nanopillars with spatially varying radii and offers outstanding polarization-insensitive operation in the broadband UV spectrum. It will significantly promote and boost the integration and miniaturization of the UV photonic devices by overcoming the use of Plasmonics structures that are vulnerable to the absorption and ohmic losses of the metals. The focusing efficiency of the designed metalens is as high as 40%. Broadband ; Polarization (electrochemistry) ; Ultraviolet ; Optics ; Diffraction ; Optoelectronics ; Materials science ; Physics ; Chemistry Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Advanced Antenna and Metasurface Technologies
Authors: Sara Barbieri | Chiara Cevoli | Alessandra Bendini | Beatriz Quintanilla‐Casas | Diego L. García‐González | Tullia Gallina Toschi
Source: Foods (article, 2020-07-02)
Field: Chemistry — Analytical Chemistry

Flash Gas Chromatography in Tandem with Chemometrics: A Rapid Screening Tool for Quality Grades of Virgin Olive Oils This research aims to develop a classification model based on untargeted elaboration of volatile fraction fingerprints of virgin olive oils (<i>n</i> = 331) analyzed by flash gas chromatography to predict the commercial category of samples (extra virgin olive oil, EVOO; virgin olive oil, VOO; lampante olive oil, LOO). The raw data related to volatile profiles were considered as independent variables, while the quality grades provided by sensory assessment were defined as a reference parameter. This data matrix was elaborated using the linear technique partial least squares-discriminant analysis (PLS-DA), applying, in sequence, two sequential classification models with two categories (EVOO vs. no-EVOO followed by VOO vs. LOO and LOO vs. no-LOO followed by VOO vs. EVOO). The results from this large set of samples provide satisfactory percentages of correctly classified samples, ranging from 72% to 85%, in external validation. This confirms the reliability of this approach in rapid screening of quality grades and that it represents a valid solution for supporting sensory panels, increasing the efficiency of the controls, and also applicable to the industrial sector. Chemometrics ; Olive oil ; Partial least squares regression ; Chemistry ; Linear discriminant analysis ; Chromatography ; Food science ; Gas chromatography ; Mathematics ; Pattern recognition (psychology) ; Artificial intelligence ; Statistics ; Computer science Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Edible Oils Quality and Analysis
Authors: Wenzhi Li | Jiaran Qi | Ari Sihvola
Source: Advanced Optical Materials (article, 2020-10-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Meta‐Imaging: from Non‐Computational to Computational Abstract Imaging equipment is one of the most powerful tools for the human to explore the world. Devices utilizing various portions of the electromagnetic spectrum are developed to reveal the fine details of objects and extend the sensing range. Recently, the advent of metamaterials/metasurfaces has significantly advanced the evolution of both imaging components and techniques. Many promising imaging methods based on metamaterials/metasurfaces arise owing to their superior spatial modulation capabilities over the electromagnetic waves. This review focuses on applications of metamaterials/metasurfaces in the electromagnetic/optical imaging, and summarizes the recent developments of metamaterial/metasurface imaging in a new perspective, which can be categorized into the non‐computational and the computational ones. First, the purposes, principles, methodology of non‐computational meta‐imaging are presented, which covers the evanescent‐wave‐collecting lens with sub‐diffraction‐limited imaging potentials and the focal metalens with Fourier transformation functionalities. Second, the principles of various computational meta‐imaging methodologies are elucidated, including mainly the Born approximation, the synthetic aperture radar, and the ghost imaging. Finally, a brief conclusion and prospects to meta‐imaging will be provided. Metamaterial ; Computer science ; Synthetic aperture radar ; Perspective (graphical) ; Optics ; Transformation optics ; Physics ; Artificial intelligence Metamaterials and Metasurfaces Applications ; Electromagnetic Scattering and Analysis ; Advanced Antenna and Metasurface Technologies
Authors: Nuhu Dalhat Mu’azu | Mukarram Zubair | Nabeel Jarrah | Omar Alagha | Mamdouh A. Al‐Harthi | Mohammed H. Essa
Source: International Journal of Molecular Sciences (article, 2020-02-25)
Field: Materials Science — Materials Chemistry

Sewage Sludge ZnCl2-Activated Carbon Intercalated MgFe–LDH Nanocomposites: Insight of the Sorption Mechanism of Improved Removal of Phenol from Water <b>Keywords</b>: sludge-activated carbon; MgFe layered double hydroxide; nanocomposite materials; phenol aqueous uptake; mechanistic studies; reusability performance. Sorption ; Adsorption ; Phenol ; Activated carbon ; Chemical engineering ; Chemistry ; Langmuir adsorption model ; Langmuir ; Endothermic process ; Materials science ; Organic chemistry Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Phosphorus and nutrient management
Authors: A. Díaz | I.I. Cuesta | Emilio Martínez‐Pañeda | J.M. Alegre
Source: International Journal of Hydrogen Energy (article, 2020-07-17)
Field: Materials Science — Metals and Alloys

Influence of charging conditions on simulated temperature-programmed desorption for hydrogen in metals Desorption ; Hydrogen ; Thermal desorption ; Thermal desorption spectroscopy ; Diffusion ; Hydrogen embrittlement ; Trapping ; Embrittlement ; Materials science ; Analytical Chemistry (journal) ; Metal ; Chemistry ; Thermodynamics ; Metallurgy ; Physical chemistry ; Adsorption ; Environmental chemistry Hydrogen embrittlement and corrosion behaviors in metals ; Nuclear Materials and Properties ; Corrosion Behavior and Inhibition
Authors: Belete B. Beyene | Getaneh A. Wassie
Source: BMC Chemistry (article, 2020-08-14)
Field: Materials Science — Materials Chemistry

Antibacterial activity of Cu(II) and Co(II) porphyrins: role of ligand modification In this study, we report antibacterial activity of metalloporphyrins; 5, 10, 15, 20-tetrakis (<i>para</i>-X phenyl)porphyrinato M (II) [where X = H, NH<sub>2</sub> and COOMe for M = Cu and X = COOH and OMe for M = Co]. The activity study of the as-synthesized metalloporphyrins toward two Gram-positive (<i>S. aureus</i> and <i>S. pyogenes)</i> and two Gram-negative (<i>E. coli</i> and <i>K. pneumoniae</i>) bacteria showed a promising inhibitory activity. Among the complexes under study, the highest antibacterial activity is observed for 5, 10, 15, 20-tetrakis (<i>p</i>-carboxyphenyl)porphyrinato cobalt (II), with inhibition zone of 16.5 mm against Staphylococcus aureus (<i>S. aureus</i>). This activity could be attributed to the high binding ability of COOH group to cellular components, membranes, proteins, and DNA as well as the lipophilicity of the complex. Moreover, consistent with literature report, the study revealed that metalloporphyrins with electron withdrawing group at para-positions have better antibacterial activity than metalloporphyrin which possess electron donating group at para position. Lipophilicity ; Antibacterial activity ; Chemistry ; Staphylococcus aureus ; Ligand (biochemistry) ; Stereochemistry ; Cobalt ; Bacteria ; Klebsiella pneumoniae ; Escherichia coli ; Medicinal chemistry ; Biochemistry ; Organic chemistry ; Receptor ; Biology Porphyrin and Phthalocyanine Chemistry ; Photodynamic Therapy Research Studies ; Porphyrin Metabolism and Disorders
Authors: Vijayakumar Uppar | Sandeep Chandrashekharappa | Atiyaparveen I. Basarikatti | Govindappa Banuprakash | Mahendra Mohan | Mallikarjun Chougala | Kiran Kumar Mudnakudu-Nagaraju | Raghu Ningegowda | Basavaraj Padmashali
Source: Journal of Applied Pharmaceutical Science (article, 2020-02-01)
Field: Chemistry — Organic Chemistry

Synthesis, antibacterial, and antioxidant studies of 7-amino-3-(4-fluorobenzoyl)indolizine-1-carboxylate derivatives In the present work, the quaternary salts of 4-aminopyridine, i.e., 4-amino-1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium bromides were obtained by stirring 4-aminopyridine with phenacyl bromides in acetone at room temperature separately. These quaternary salts of 4-aminopyridine were treated with acetylenes (electron deficient), in the presence of anhydrous possium carbonate in N,N-dimethylformamide solvent to get indolizine derivatives. The structures of newly synthesised compounds have been confirmed by spectroscopic techniques, such as liquid chromatography mass spectrometry, 1 H-NMR, and elemental analysis. Synthesized all compounds were screened for antibacterial and antioxidant activity. The compounds 2e, 2g, and 2j shows inhibition zone against bacteria and compounds 2a and 2f moderately active against bacteria. All compounds 2a to 2j show 1,1-diphenyl-2-picrylhydrazide radical free radical scavenging activity, Nitric Oxide free radical scavenging activity, Reducing power scavenging activity, and Lipid peroxidation inhibition activity. Indolizine ; Chemistry ; Antioxidant ; Carboxylate ; Stereochemistry ; Organic chemistry Synthesis and Reactivity of Heterocycles ; Quinazolinone synthesis and applications ; Synthesis and biological activity
Authors: Yun Zheng | Chenhuan Zhao | Tong Wu | Yifeng Li | Wenqiang Zhang | Jianxin Zhu | Ga Geng | Jing Chen | Jianchen Wang | Bo Yu | Jiujun Zhang
Source: Energy and AI (article, 2020-09-24)
Field: Materials Science — Materials Chemistry

Enhanced oxygen reduction kinetics by a porous heterostructured cathode for intermediate temperature solid oxide fuel cells A novel porous heterostructured Nd0.8Sr1.2CoO4±δ/Nd0.5Sr0.5CoO3-δ (NSC214/113) cathode for intermediate temperature solid oxide fuel cells (IT-SOFCs) is developed to significantly enhance oxygen reduction reaction (ORR) kinetics. Compared to single-phase materials, the fabricated porous heterostructured NSC214/113 shows optimized electrochemical properties, including a better conductivity, 20 times faster surface oxygen exchange kinetics, and a comparatively lower area-specific resistance (0.065 Ω cm2 at 800 °C). The single cell with Ni-YSZ|YSZ-GDC|NSC214/113 configuration exhibits a high peak power density of 1.10 W cm−2 at 800 °C, superior to other cells reported in literature with similar heterostructured cathodes. Moreover, the underlying mechanism of the ORR performance enhancement is further investigated, revealing that the formation of heterojunction can lead to a narrowed energy bandgap and a decrease of Co oxidation state, which further induce better conductivity, more available electrons and oxygen vacancies to enhance the ORR process. Taken together, our research also provides new insights into potential application of artificial intelligence (AI) method involved in materials intelligent identification, cell state estimation, system diagnostic and optimization. The revolutionary force of AI, especially in the field of new electrode material development is now advancing in its full swing. More and greater breakthroughs are still expected. Materials science ; Cathode ; Oxide ; Electrochemistry ; Chemical engineering ; Conductivity ; Heterojunction ; Oxygen ; Nanotechnology ; Porosity ; Kinetics ; Electrode ; Optoelectronics ; Composite material ; Chemistry ; Physical chemistry ; Metallurgy Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials