jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ankit Agrawal | Abhinav Saboo | Wei Xiong | Greg Olson | Alok Choudhary
Source:  (article, 2019-10-01)
Field: Materials Science — Metals and Alloys

Martensite Start Temperature Predictor for Steels Using Ensemble Data Mining Martensite start temperature (MsT) is an important characteristic of steels, knowledge of which is vital for materials engineers to guide the structural design process of steels. It is defined as the highest temperature at which the austenite phase in steel begins to transform to martensite phase during rapid cooling. Here we describe the development and deployment of predictive models for MsT, given the chemical composition of the material. The data-driven models described here are built on a dataset of about 1000 experimental observations reported in published literature, and the best model developed was found to significantly outperform several existing MsT prediction methods. The data-driven analyses also revealed several interesting insights about the relationship between MsT and the constituent alloying elements of steels. The most accurate predictive model resulting from this work has been deployed in an online web-tool that takes as input the elemental alloying composition of a given steel and predicts its MsT. The online MsT predictor is available at http://info.eecs.northwestern.edu/MsTpredictor. Martensite ; Austenite ; Work (physics) ; Process (computing) ; Materials science ; Phase (matter) ; Computer science ; Predictive modelling ; Experimental data ; Data mining ; Metallurgy ; Machine learning ; Mechanical engineering ; Microstructure ; Engineering ; Statistics ; Mathematics ; Physics Hydrogen embrittlement and corrosion behaviors in metals ; Microstructure and Mechanical Properties of Steels ; Machine Learning in Materials Science
Authors: Chen Li | Guohe Huang | Guanhui Cheng | Maosheng Zheng | Nan Zhou
Source: International Journal of Environmental Research and Public Health (article, 2019-12-16)
Field: Materials Science — Materials Chemistry

Nanomaterials in the Environment: Research Hotspots and Trends Research on the field of nanomaterials in environment has continued to be a major area of interest in recent years. To present the up-to-date progress in this field, a bibliometric study is conducted to analyze 7087 related publications in the Science Citation Index (SCI) core collection of Web of Science based on the expanded SCI. These publications are identified through using representative keywords in the research directions environment of the Web of Science. This study finds that China and the United States dominate the field; one difference between them is that China issued more independent publications and the United States issued more cooperative publications. In addition, the number of the related publications in Asian countries has exceeded that of European and American ones. A Chinese institution, the Chinese Academy of Sciences, has an absolute dominance in this field. Traditional high-impact environmental journals have ruled this field. The number of publications in the Energy and Environmental Science field has gradually decreased. In addition, a co-citation analysis shows that previous studies in this field can be divided into four major branches, and that graphene oxide and nano-inorganic particles are increasingly becoming research hotspots. Science Citation Index ; China ; Web of science ; Dominance (genetics) ; Field (mathematics) ; Chinese academy of sciences ; Library science ; Political science ; Bibliometrics ; Citation ; Regional science ; Geography ; MEDLINE ; Computer science ; Biology ; Law Nanoparticles: synthesis and applications
Authors: Basuki Rahmat
Source: Indonesian Journal of Chemistry (article, 2019-12-31)
Field: Chemistry — Physical and Theoretical Chemistry

Conceptual Difficulties Experienced by First-Year Undergraduate Chemistry Students in Assigning Oxidation Number: A Case Study of High School Chemistry Textbooks The purpose of this research was to investigate first-year undergraduate chemistry students’ understanding in assigning oxidation number following a case-study course instruction. A list of multiple choice question and interview section was formulated to identify the initial knowledge as representative of their conceptual understanding in assigning oxidation number obtained from their chemistry textbooks. This study revealed that most of 34 students who participated were confused about the nature of oxidation number. In the section of the interview which focused on applying “The Rules”, many students experienced more problems in assigning oxidation number of sulfur in S2O32– ion. Several misconceptions relating to the inappropriate assumption in assigning oxidation number were identified. The data illustrated how students attempt to make sense of the concept obtained from High School with the knowledge they had already constructed in solve of a given question. The research implied that the teachers, lecturers, curriculum developers, and High School Chemistry textbooks authors need to be cognizant of the importance of related concept (electronegativity and dot-Lewis structure) with oxidation number. The high school and chemistry textbook authors were recommended to introduce this interconnection (including formal charge) to minimize the misconception and conceptual difficulties experienced by first-year undergraduate chemistry students in assigning oxidation number. Chemistry ; Mathematics education ; Chemistry education ; Curriculum ; Section (typography) ; Psychology ; Pedagogy ; Computer science ; Social psychology Various Chemistry Research Topics ; Science Education and Pedagogy
Authors: Jeanne Blanchard | U. Mutlu | A.J. Sobey | J.I.R. Blake
Source: Composite Structures (article, 2019-02-11)
Field: Materials Science — Polymers and Plastics

Modelling the different mechanical response and increased stresses exhibited by structures made from natural fibre composites Composite material ; Materials science ; Structural engineering ; Engineering Natural Fiber Reinforced Composites ; Mechanical Behavior of Composites ; Textile materials and evaluations
Authors: Marcin Woźnica | Piotr Luliński
Source: Journal of Separation Science (article, 2019-01-25)
Field: Chemistry — Analytical Chemistry

Design of selective molecularly imprinted sorbent for the optimized solid‐phase extraction of <i>S</i>‐pramipexole from the model multicomponent sample of human urine The objective of this article was to design the selective molecularly imprinted sorbent dedicated to the solid-phase extraction of S-pramipexole from the complex matrix such as human urine. For that purpose, S-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole was used as the template acting as the structural analog of S-pramipexole and five various monomers were employed in the presence of ethylene glycol dimethacrylate to produce molecularly imprinted polymers. The binding capabilities of resulted polymers revealed that the highest imprinting effect was noted for polymer prepared from the itaconic acid. The comprehensive analysis of morphology and the characterization of binding sites showed not only negligible differences in the extension of surfaces of imprinted and nonimprinted polymers but also higher heterogeneity of binding sites in the imprinted material. Comprehensive optimization of the molecularly imprinted solid-phase extraction allowed to select the most appropriate solvents for loading, washing, and elution steps. Subsequent optimization of mass of sorbent and volumes of solvents allowed to achieve satisfactory total recoveries of S-pramipexole from the model multicomponent real sample of human urine that equals to 91.8 ± 3.2% for imprinted sorbent with comparison to only 37.1 ± 1.1% for Oasis MCX. Molecularly imprinted polymer ; Sorbent ; Solid phase extraction ; Chromatography ; Elution ; Ethylene glycol dimethacrylate ; Chemistry ; Itaconic acid ; Extraction (chemistry) ; Molecular imprinting ; Sample preparation ; Polymer ; Adsorption ; Monomer ; Organic chemistry ; Selectivity Analytical chemistry methods development ; Pharmacological Effects and Toxicity Studies ; Forensic Toxicology and Drug Analysis
Authors: Haibao Lu | Xiaojuan Shi | Kai Yu | Yongqing Fu
Source: Composites Part B Engineering (article, 2019-02-05)
Field: Materials Science — Polymers and Plastics

A strategy for modelling mechanochemically induced unzipping and scission of chemical bonds in double-network polymer composite Covalent bond ; Ionic bonding ; Network covalent bonding ; Chemical bond ; Polymer ; Dissociation (chemistry) ; Materials science ; Morse potential ; Bond cleavage ; Mechanochemistry ; Composite number ; Chemical physics ; Chemistry ; Computational chemistry ; Thermodynamics ; Composite material ; Physical chemistry ; Nanotechnology ; Organic chemistry ; Ion ; Catalysis ; Physics Conducting polymers and applications ; Force Microscopy Techniques and Applications ; Polymer composites and self-healing
Authors: Vicky Caponigro | Federico Marini | Ronan M. Dorrepaal | Ana Herrero‐Langreo | Amalia G. M. Scannell | Aoife Gowen
Source: Journal of Spectral Imaging (article, 2019-01-13)
Field: Chemistry — Analytical Chemistry

Raman and Fourier transform infrared hyperspectral imaging to study dairy residues on different surface Milk is a complex emulsion of fat and water with proteins (such as caseins and whey), vitamins, minerals and lactose dissolved within. The purpose of this study is to automatically distinguish different dairy residues on substrates commonly used in the food industry using hyperspectral imaging. Fourier transform infrared (FT-IR) and Raman hyperspectral imaging were compared as candidate techniques to achieve this goal. Aluminium and stainless-steel, types 304-2B and 316-2B, were chosen as surfaces due to their widespread use in food production. Spectra of dried samples of whole, skimmed, protein, butter milk and butter were compared. The spectroscopic information collected was not only affected by the chemical signal of the milk composition, but also by surface signals, evident as baseline and multiplicative effects. In addition, the combination of the spectral information with spatial information can improve data interpretation in terms of characterising spatial variability of the selected surfaces. Hyperspectral imaging ; Raman spectroscopy ; Chemical imaging ; Skimmed milk ; Attenuated total reflection ; Fourier transform infrared spectroscopy ; Lactose ; Fourier transform ; Food science ; Materials science ; Chemistry ; Emulsion ; Analytical Chemistry (journal) ; Remote sensing ; Chromatography ; Mathematics ; Optics ; Geology ; Biochemistry ; Physics Spectroscopy and Chemometric Analyses ; Meat and Animal Product Quality ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Hidenori Kuroki | Alexey Gruzd | Igor Tokarev | T. Patsahan | Jaroslav Ilnytskyi | Karsten Hinrichs | Sergiy Minko
Source: ACS Applied Materials & Interfaces (article, 2019-04-29)
Field: Materials Science — Surfaces, Coatings and Films

Biofouling-Resistant Porous Membranes with a Precisely Adjustable Pore Diameter via 3D Polymer Grafting A facile route to biofouling-resistant porous thin-film membranes that can be fine-tuned for specific needs in diverse bioseparation, mass flow control, sensors, and drug delivery applications is reported. The proposed approach is based on combining two distinct macromolecular systems-a cross-linked poly(2-vinyl pyridine) network and a 3D-grafted polyethylene oxide (PEO) layer-in one robust porous material whose porosity can be adjusted within a wide range, covering the macroporous and mesoporous size regimes. Notably, this reconfigurable material maintains its antifouling properties throughout the entire range of pore size configurations because of a dense surface carpet of PEO chains with self-healing properties that are immobilized both onto the surface and inside the polymer network through what was termed 3D grafting. Experimental results are supplemented by computer simulations of a coarse-grained model of a porous membrane that shows qualitatively similar pore swelling behavior. Materials science ; Porosity ; Membrane ; Biofouling ; Polymer ; Mesoporous material ; Grafting ; Chemical engineering ; Polyethylene glycol ; Copolymer ; Polymer chemistry ; Composite material ; Organic chemistry Polymer Surface Interaction Studies ; Block Copolymer Self-Assembly ; Electrospun Nanofibers in Biomedical Applications
Authors: Xinzhang Lin | Chao Liu | Xuemei Fu | Jiahui Huang
Source: Chemistry - An Asian Journal (article, 2019-02-13)
Field: Materials Science — Materials Chemistry

Cu<sup>2+</sup>‐Induced Structural Isomers: Effect of Foreign Metal Ions on the Structure and Properties of Silver Nanoclusters Metal ions have an important impact on the precise control of the synthesis and atomic structural arrangement of noble metal nanoclusters. In this work, the effect of metal ions on the isomer generation of metal nanoclusters is revealed for the first time. Compared with the previous Ag<sub>23</sub> nanoclusters with two face-centered cubic (fcc) unit cells twisting 27°, the Ag<sub>23</sub> isomer had a higher symmetry structure with two fcc unit cells almost overlapping. In addition, the UV/Vis absorption spectrum of the isomer showed a slight redshift of approximately 14 nm. The redshift might be because of the modulation of electronic structure, which is derived from fine-tuned crystal structure. Based on the experimental results, we provide mechanisms to explain the Cu<sup>2+</sup> effect on the structural isomer. This work reports a significant finding to tune precisely the crystal structure and understand the mechanism of shape-controlled synthesis of metal nanoclusters. Nanoclusters ; Crystal structure ; Metal ; Crystallography ; Materials science ; Ion ; Metal ions in aqueous solution ; Cubic crystal system ; Nanotechnology ; Chemistry ; Metallurgy ; Organic chemistry Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Carbon and Quantum Dots Applications
Authors: Marie A. Claudio-Cintrón | Joaquín Rodríguez‐López
Source: Analytica Chimica Acta (article, 2019-04-15)
Field: Chemistry — Electrochemistry

Scanning electrochemical microscopy with conducting polymer probes: Validation and applications Scanning electrochemical microscopy ; PEDOT:PSS ; Chemistry ; Ionic bonding ; Scanning probe microscopy ; Redox ; Nanotechnology ; Microscopy ; Electrochemistry ; Electrode ; Conductive polymer ; Ultramicroelectrode ; Polymer ; Analytical Chemistry (journal) ; Ion ; Cyclic voltammetry ; Inorganic chemistry ; Materials science ; Optics ; Organic chemistry ; Physical chemistry Electrochemical Analysis and Applications ; Conducting polymers and applications ; Analytical Chemistry and Sensors
Authors: Erlong Ning | Lingyi Yang | Binbin Tu | Qingqing Pang | Xiaomin Li | Huoshu Xu | Yi Qi | Qiaowei Li
Source: Journal of Colloid and Interface Science (article, 2019-05-18)
Field: Chemistry — Inorganic Chemistry

Interface construction in microporous metal–organic frameworks from luminescent terbium-based building blocks Terbium ; Microporous material ; Metal-organic framework ; Interface (matter) ; Luminescence ; Materials science ; Nanotechnology ; Chemical engineering ; Chemistry ; Engineering ; Adsorption ; Organic chemistry ; Optoelectronics ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Lanthanide and Transition Metal Complexes
Authors: Anton D. Utyushev | I. L. Isaev | V. S. Gerasimov | A. E. Ershov | Vadim I. Zakomirnyi | Ilia L. Rasskazov | Sergey P. Polyutov | Hans Ågren | С. В. Карпов
Source: arXiv (Cornell University) (preprint, 2019-07-09)
Field: Materials Science — Surfaces, Coatings and Films

Ultra-narrowband selective tunable filters for visible and infrared wavelength ranges The interaction of non-monochromatic radiation with two types of arrays comprising both plasmonic and dielectric nanoparticles has been studied in detail. We have shown that dielectric nanoparticle arrays provide a complete selective reflection of an incident plane wave within a narrow spectral line of collective lattice resonance with a Q-factor of $10^3$ or larger, whereas plasmonic refractory TiN and chemically stable Au nanoparticle arrays demonstrated high-Q resonances with moderate reflectivity. The spectral position of these resonance lines is determined by the lattice period, as well as the size, shape and material composition of the particles. Moreover, the arrays, with fixed dimensional parameters make it possible to fine-tune the position of a selected resonant spectral line by tilting the array relative to the direction of the incident radiation. These effects provide possibilities for engineering of novel selective tunable optical high-Q filters in a wide range of wavelengths: from visible to middle IR. Several highly refractive dielectric nanoparticle materials with low absorption are proposed for various spectral ranges, such as LiNbO$_3$, TiO$_2$, GaAs, Si, and Ge. Materials science ; Plasmon ; Dielectric ; Narrowband ; Wavelength ; Optoelectronics ; Nanoparticle ; Optics ; Infrared ; Surface plasmon resonance ; Resonance (particle physics) ; Nanotechnology ; Physics ; Atomic physics Optical Coatings and Gratings ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Hongwei Li | Liangyu Lu | Yuzhu Xiong | Fuping Dong
Source: Applied Surface Science (article, 2019-07-06)
Field: Materials Science — Materials Chemistry

Uniform and reactive hydrogen polysilsesquioxane hollow spheres immobilized with silver nanoparticles for catalytic reduction of methylene blue Triethoxysilane ; Catalysis ; Nanoparticle ; Chemical engineering ; Materials science ; Noble metal ; Methylene blue ; Aqueous solution ; Particle (ecology) ; Particle size ; Fourier transform infrared spectroscopy ; Adsorption ; Nanotechnology ; Chemistry ; Photocatalysis ; Composite material ; Organic chemistry Silicone and Siloxane Chemistry ; Catalytic Processes in Materials Science ; Aerogels and thermal insulation
Authors: Dharmendra K. Panchariya | E. Anil Kumar | Sanjay Kumar Singh
Source: Energy & Fuels (article, 2019-09-03)
Field: Chemistry — Inorganic Chemistry

Inducing <i>In Situ</i> Hydrothermal Carbonization of Glucose To Synthesize Carbon–MIL-101 Hybrid Composites for Improved Hydrogen Uptake A sustainable methodology was explored to synthesize carbon–MIL-101 hybrid composites by advantageously inducing in situ hydrothermal carbonization (HTC) of glucose during the synthesis of MIL-101. Carbon−MIL-101 hybrid composites with varying carbon contents were synthesized by tuning the content of glucose. The HTC of glucose and incorporation of carbon in MIL-101 were confirmed by probing 13C nuclear magnetic resonance, transmission electron microscopy, X-ray photoelectron spectroscopy, and Raman investigations. The microporosity of composites can be fine-tuned by optimizing the carbon loading. Consequently, the carbon–MIL-101 hybrid composites with an optimized pore size and high pore volume and surface area conferred enhanced H2 uptake properties (by ca. 11% compared to MIL-101) at 77 K and 1 bar. The noteworthy enhancement in H2 uptake for the synthesized carbon–MIL-101 hybrid composites endorsed the potential of the studied methodology to design hybrid metal–organic framework composites with tuned porosity for H2 storage application. Carbonization ; Materials science ; Hydrothermal carbonization ; Carbon fibers ; Hydrothermal circulation ; X-ray photoelectron spectroscopy ; Hybrid material ; Raman spectroscopy ; Composite material ; Chemical engineering ; Composite number ; Porosity ; Reinforced carbon–carbon ; Metal-organic framework ; Scanning electron microscope ; Nanotechnology ; Chemistry ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Supercapacitor Materials and Fabrication ; Covalent Organic Framework Applications
Authors: Kenya Nakajima | Hiroki Kurita | Fumio Narita
Source: Sensors and Actuators A Physical (article, 2019-05-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Performance boost of co-rich fe-co based alloy magnetostrictive sensors via nitrogen treatment Bimetal ; Magnetostriction ; Materials science ; Nitriding ; Inverse magnetostrictive effect ; Alloy ; Metallurgy ; Bending ; Magnetic field ; Composite material Magnetic Properties and Applications ; Magnetic properties of thin films ; Microstructure and Mechanical Properties of Steels
Authors: Jing Yan | Ziwang Zhang | Bojana Milićević | Junhao Li | Qiongyun Liang | Jianbang Zhou | Yunfeng Wang | Jianxin Shi | Mingmei Wu
Source: Optical Materials (article, 2019-06-21)
Field: Materials Science — Materials Chemistry

The enhancement of emission intensity and enlargement of color gamut by a simple local structure substitution with highly thermal stability preserved Phosphor ; Photoluminescence ; Gamut ; Rietveld refinement ; Materials science ; Crystal structure ; Luminescence ; Thermal stability ; Powder diffraction ; Backlight ; Optoelectronics ; Analytical Chemistry (journal) ; Chemistry ; Optics ; Crystallography ; Physics ; Liquid-crystal display Luminescence Properties of Advanced Materials ; Perovskite Materials and Applications ; Advanced Photocatalysis Techniques
Authors: Yixing Duan | Xu Xu | Li Zhou
Source: Reactive and Functional Polymers (article, 2019-06-05)
Field: Chemistry — Organic Chemistry

Magnetic polymer microcapsules: One-step template/surfactant-free preparation and Pt decoration for catalytic reduction of aromatic nitro compounds Materials science ; Fabrication ; Catalysis ; Chemical engineering ; Nanoparticle ; Vinyl alcohol ; Emulsion ; Polymer ; Aqueous solution ; Pulmonary surfactant ; Benzyl alcohol ; Nanotechnology ; Organic chemistry ; Chemistry ; Composite material Nanomaterials for catalytic reactions ; Advanced Photocatalysis Techniques ; Copper-based nanomaterials and applications
Authors: C. Tojo | David Buceta | M. Arturo López‐Quintela
Source: Physical Sciences Reviews (article, 2019-12-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

On the minimum reactant concentration required to prepare Au/M core-shell nanoparticles by the one-pot microemulsion route Abstract The minimum reactant concentration required to synthesize Au/M (M = Ag, Pt, Pd, Ru …) core-shell nanoparticles by the one-pot microemulsion route was calculated by a simulation model under different synthesis conditions. This minimum concentration was proved to depend on the reduction potential of the slower metal M and on the rigidity of the surfactant film composing the microemulsion. Model results were tested by comparing with Au/M nanoparticles taken from literature. In all cases, experimental data obey model predictions. From this agreement, one can conclude that the smaller the standard potential of the slower reduction metal, the lower the minimum concentration needed to obtain core-shell nanoparticles. In addition, the higher the surfactant flexibility, the higher the minimum concentration to synthesize metal segregated nanoparticles. Model prediction allows to quantify which is the best value of concentration to prepare different pairs of core-shell Au/M nanoparticles in terms of nature of M metal in the couple and microemulsion composition. This outlook may become an advanced tool for fine-tuning Au/M nanostructures. Graphical Abstract : Microemulsion ; Nanoparticle ; Pulmonary surfactant ; Metal ; Materials science ; Shell (structure) ; Chemical engineering ; Nanotechnology ; Core (optical fiber) ; Nanostructure ; Chemistry ; Composite material ; Metallurgy Gold and Silver Nanoparticles Synthesis and Applications ; nanoparticles nucleation surface interactions ; Quantum Dots Synthesis And Properties