jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: E. S. Ameh | Sunday Chukwuyem Ikpeseni | Sunday L. Lawal
Source: Nigerian Journal of Technological Development (review, 2018-01-29)
Field: Materials Science — Materials Chemistry

A Review of Field Corrosion Control and Monitoring Techniques of the Upstream Oil and Gas Pipelines All steel pipelines used in hydrocarbon transportation are susceptible to either electrolytic or galvanic corrosion attack which deteriorate with time leading to failure even before end of design life. Consequences of corrosion attack and eventual failure of pipelines within oil and gas industry has been classified into economic, health, safety and environmental impacts. The present study considers detailed review of practical field corrosion control and monitoring mechanisms necessary to preserve, extend service life of pipelines and reduce corrosion impacts. The corrosion controls are various preventive strategies considered during construction and prior to pipelines’ commissioning which include design, material selection, protective coating, chemical treatment and cathodic protection system. But the corrosion monitoring strategy is aimed at establishing condition of pipelines and environmental variables that may accelerate corrosion process and this includes potential survey, bacteria count, corrosion coupons and intelligent pigging. The identified corrosion control and monitoring techniques are not governed by any industry code and standard but has been generally accepted as best practice within the oil and gas industry as ways of combating corrosion and evaluating pipelines condition. Therefore, effective implementation of the identified corrosion control and monitoring strategies would limit corrosion attack and guide pipelines’ operators to make informed decision and timely respond to corrosion threat before failures.Keywords: cathodic protection, corrosion mechanism, control and monitoring, pipelines, oil and gas. Pipeline transport ; Petroleum engineering ; Corrosion ; Upstream (networking) ; Oil field ; Materials science ; Fossil fuel ; Environmental science ; Engineering ; Waste management ; Metallurgy ; Environmental engineering ; Telecommunications Corrosion Behavior and Inhibition
Authors: Ying Yuan | Jun‐Ho Huh
Source: Electronics (article, 2018-10-23)
Field: Materials Science — Polymers and Plastics

Customized CAD Modeling and Design of Production Process for One-Person One-Clothing Mass Production System Following the development of the Industrial Revolution 4.0, many new types of systems are being designed, introduced, or attempted, even in almost every traditional industry. The clothing industry is no exception. The use of continuously developing production equipment and Information and Communication Technology (ICT) has a single objective, providing a customized service to all customers. Thus, in this study, the primary research task was to identify ill-balanced aspects or disadvantages of the services previously analyzed to construct a more complete online customized service. This was accomplished by analyzing an automated Computer-Aided Design (CAD) output file containing customer requirements regarding individual clothing items. The secondary research task was to plan and design a clothing manufacturing process to which a one-person one-item mass production system has been applied to achieve a customized service. As a result, for the primary research task, the customers’ requirements for each dress were reflected in attributes, such as color, pattern, or size, and it was possible to obtain an automated CAD output file for each element. Such CAD output files can be used in the production process directly. To find the possibility of upgrading the existing dressmaking process and implement the one-person one-item system, the entire manufacturing process was simulated for the test. Clothing ; Manufacturing engineering ; Task (project management) ; Production (economics) ; Service (business) ; Process (computing) ; CAD ; Computer science ; Construct (python library) ; Plan (archaeology) ; Engineering ; Engineering drawing ; Industrial engineering ; Systems engineering ; Marketing ; Business Textile materials and evaluations ; 3D Shape Modeling and Analysis ; Fashion and Cultural Textiles
Authors: Eduardo Fuentes-Quezada | Ezequiel de la Llave | Emilia B. Halac | Matı́as Jobbágy | Federico A. Viva | Mariano M. Bruno | Horacio R. Corti
Source: Chemical Engineering Journal (article, 2018-12-01)
Field: Materials Science — Materials Chemistry

Bimodal mesoporous hard carbons from stabilized resorcinol-formaldehyde resin and silica template with enhanced adsorption capacity Mesoporous material ; Adsorption ; Materials science ; Chemical engineering ; Resorcinol ; Crystallite ; Carbon fibers ; Specific surface area ; Organic chemistry ; Chemistry ; Catalysis ; Composite material Mesoporous Materials and Catalysis ; Supercapacitor Materials and Fabrication ; Covalent Organic Framework Applications
Authors: Linlin Zang | Ru Lin | Tianwei Dou | Lu Wang | Jun Ma | Liguo Sun
Source: Nanoscale Advances (article, 2018-09-26)
Field: Materials Science — Biomaterials

Electrospun superhydrophilic membranes for effective removal of Pb(<scp>ii</scp>) from water Nanofibrous membranes have a high specific surface area and large porosity, which are beneficial for being used as adsorbents to remove heavy metal ions from water. In this work, electrospun nanofibers were wrapped with a hydrogel layer with a tunable thickness, which endowed the membrane with excellent superhydrophilic performance. Because of good water-retention properties and abundant functional groups originating from the hydrogel layer, as a static adsorbent, the maximum adsorption capacity of Pb(ii) was up to 146.21 mg g<sup>-1</sup> according to the Langmuir model. Meanwhile, the electrospun membrane also possessed water permeability as a flow-through membrane for dynamic adsorption, which was obviously different from traditional hydrogel adsorbents. As a result, the rejection ratio of Pb(ii) can remain over 55% after running for 72 h under high pH conditions and at low initial ion concentrations. Apart from these, cycle operations confirmed the regeneration of the membrane, and competitive adsorption experiments illustrated the selective removal of Pb(ii) in a mixed ion solution. Superhydrophilicity ; Membrane ; Chemical engineering ; Chemistry ; Engineering ; Wetting Electrospun Nanofibers in Biomedical Applications ; Membrane Separation Technologies ; Supercapacitor Materials and Fabrication
Authors: F. El‐Taib Heakal | Walaa Abdel-Latif | N.S. Tantawy | Ali Taha
Source: RSC Advances (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Impact of pH and temperature on the electrochemical and semiconducting properties of zinc in alkaline buffer media The electrochemical and semiconductive properties of spontaneously formed passive films on pure Zn were investigated in alkaline carbonate/bicarbonate buffer solutions as functions of pH and temperature. The study was performed in 0.1 M (CO<sub>3</sub> <sup>2-</sup> + HCO<sub>3</sub> <sup>-</sup>) mixtures over the pH range 9.2 to 9.8 using open circuit potential, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization and Mott-Schottky analysis techniques. Generally, zinc passivation is enhanced with either increasing pH or decreasing the ambient temperature. The steady state potential (<i>E</i> <sub>ss</sub>) value reveals that in pH 9.8 buffer the propensity of Zn for passivation is superior when compared with those in the other tested buffer solutions. The total surface film resistance (<i>R</i> <sub>t</sub>) derived from the impedance data proves this result, which is likely attributed to changes in composition and/or microstructure of the film. In pH 9.8 buffer solution the passivation tendency always decreases with temperature increase. However, in pH 9.2 the system behaves similarly up to 25 °C; afterwards zinc passivation trend was found to re-increase once more. The apparent activation energy for the corrosion process was evaluated and discussed. Analysis of Mott-Schottky plots was found to be suitable for characterizing the semiconductor properties of the naturally deposited barrier layers which are all consistent with the well-known n-type character of the oxide film on zinc. The absence of any evidences for the p-type semiconductive behavior indicates a preponderance of oxygen vacancies and zinc interstitials over metal vacancies. Moreover, Mott-Schottky results demonstrate that the donor concentration increases with either increasing pH or deceasing temperature commensurate with the increasing trends in the passive film thickness. Buffer (optical fiber) ; Zinc ; Electrochemistry ; Chemistry ; Inorganic chemistry ; Computer science ; Electrode ; Organic chemistry ; Telecommunications ; Physical chemistry Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals ; Metal Extraction and Bioleaching
Authors: Jing Yang | Mostafa Youssef | Bilge Yildiz
Source: Physical review. B./Physical review. B (article, 2018-01-29)
Field: Materials Science — Materials Chemistry

Oxygen self-diffusion mechanisms in monoclinic <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Zr</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations In this work, we quantify oxygen self-diffusion in monoclinic-phase zirconium oxide as a function of temperature and oxygen partial pressure. A migration barrier of each type of oxygen defect was obtained by first-principles calculations. Random walk theory was used to quantify the diffusivities of oxygen interstitials by using the calculated migration barriers. Kinetic Monte Carlo simulations were used to calculate diffusivities of oxygen vacancies by distinguishing the threefold- and fourfold-coordinated lattice oxygen. By combining the equilibrium defect concentrations obtained in our previous work together with the herein calculated diffusivity of each defect species, we present the resulting oxygen self-diffusion coefficients and the corresponding atomistically resolved transport mechanisms. The predicted effective migration barriers and diffusion prefactors are in reasonable agreement with the experimentally reported values. This work provides insights into oxygen diffusion engineering in $\mathrm{Zr}{\mathrm{O}}_{2}$-related devices and parametrization for continuum transport modeling. Oxygen ; Monoclinic crystal system ; Diffusion ; Materials science ; Thermodynamics ; Lattice (music) ; Parametrization (atmospheric modeling) ; Physics ; Crystallography ; Chemistry ; Crystal structure ; Quantum mechanics Nuclear Materials and Properties ; Catalytic Processes in Materials Science ; Semiconductor materials and devices
Authors: Juan‐Jesús Velasco‐Vélez | Detre Teschner | Frank Girgsdies | Michael Hävecker | Verena Streibel | Marc‐Georg Willinger | Jing Cao | Maximilian Lamoth | Elias Frei | Ruizhi Wang | Alba Centeno | Amaia Zurutuza | Stephan Hofmann | Robert Schlögl | Axel Knop‐Gericke
Source: Topics in Catalysis (article, 2018-10-24)
Field: Materials Science — Materials Chemistry

The Role of Adsorbed and Subsurface Carbon Species for the Selective Alkyne Hydrogenation Over a Pd-Black Catalyst: An Operando Study of Bulk and Surface The selective hydrogenation of propyne over a Pd-black model catalyst was investigated under <i>operando</i> conditions at 1 bar making use of advanced X-ray diffraction (bulk sensitive) and photo-electron spectroscopy (surface sensitive) techniques. It was found that the population of subsurface species controls the selective catalytic semi-hydrogenation of propyne to propylene due to the formation of surface and near-surface PdC<sub>x</sub> that inhibits the participation of more reactive bulk hydrogen in the hydrogenation reaction. However, increasing the partial pressure of hydrogen reduces the population of PdC<sub>x</sub> with the concomitant formation of a β-PdH<sub>x</sub> phase up to the surface, which is accompanied by a lattice expansion, allowing the participation of more active bulk hydrogen which is responsible for the unselective total alkyne hydrogenation. Therefore, controlling the surface and subsurface catalyst chemistry is crucial to control the selective alkyne semi-hydrogenation. Catalysis ; Alkyne ; Propyne ; Hydrogen ; Adsorption ; Photochemistry ; Population ; Chemistry ; Heterogeneous catalysis ; Inorganic chemistry ; Materials science ; Physical chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Hydrodesulfurization Studies
Authors: Alexandre Maes | Xavier Martinez | Karen Druart | Benoist Laurent | Sean Guégan | Christophe Marchand | Stéphane D. Lemaire | Marc Baaden
Source: Berichte aus der medizinischen Informatik und Bioinformatik/Journal of integrative bioinformatics (article, 2018-06-01)
Field: Chemistry — Spectroscopy

MinOmics, an Integrative and Immersive Tool for Multi-Omics Analysis Proteomic and transcriptomic technologies resulted in massive biological datasets, their interpretation requiring sophisticated computational strategies. Efficient and intuitive real-time analysis remains challenging. We use proteomic data on 1417 proteins of the green microalga Chlamydomonas reinhardtii to investigate physicochemical parameters governing selectivity of three cysteine-based redox post translational modifications (PTM): glutathionylation (SSG), nitrosylation (SNO) and disulphide bonds (SS) reduced by thioredoxins. We aim to understand underlying molecular mechanisms and structural determinants through integration of redox proteome data from gene- to structural level. Our interactive visual analytics approach on an 8.3 m2 display wall of 25 MPixel resolution features stereoscopic three dimensions (3D) representation performed by UnityMol WebGL. Virtual reality headsets complement the range of usage configurations for fully immersive tasks. Our experiments confirm that fast access to a rich cross-linked database is necessary for immersive analysis of structural data. We emphasize the possibility to display complex data structures and relationships in 3D, intrinsic to molecular structure visualization, but less common for omics-network analysis. Our setup is powered by MinOmics, an integrated analysis pipeline and visualization framework dedicated to multi-omics analysis. MinOmics integrates data from various sources into a materialized physical repository. We evaluate its performance, a design criterion for the framework. Computer science ; Visualization ; Proteome ; Pipeline (software) ; Visual analytics ; Computational biology ; Data mining ; Bioinformatics ; Biology Advanced Proteomics Techniques and Applications ; Bioinformatics and Genomic Networks ; Metabolomics and Mass Spectrometry Studies
Authors: Luigi Ranno | Stefano Dal Forno | Johannes Lischner
Source: npj Computational Materials (article, 2018-07-02)
Field: Materials Science — Materials Chemistry

Computational design of bimetallic core-shell nanoparticles for hot-carrier photocatalysis Abstract Computational design can accelerate the discovery of new materials with tailored properties, but applying this approach to plasmonic nanoparticles with diameters larger than a few nanometers is challenging as atomistic first-principles calculations are not feasible for such systems. In this paper, we employ a recently developed material-specific approach that combines effective mass theory for electrons with a quasistatic description of the localized surface plasmon to identify promising bimetallic core-shell nanoparticles for hot-electron photocatalysis. Specifically, we calculate hot-carrier generation rates of 100 different core-shell nanoparticles and find that systems with an alkali-metal core and a transition-metal shell exhibit high figures of merit for water splitting and are stable in aqueous environments. Our analysis reveals that the high efficiency of these systems is related to their electronic structure, which features a two-dimensional electron gas in the shell. Our calculations further demonstrate that hot-carrier properties are highly tunable and depend sensitively on core and shell sizes. The design rules resulting from our work can guide experimental progress towards improved solar energy conversion devices. Bimetallic strip ; Plasmon ; Nanoparticle ; Materials science ; Photocatalysis ; Shell (structure) ; Nanotechnology ; Figure of merit ; Quasistatic process ; Plasmonic nanoparticles ; Metal ; Chemistry ; Optoelectronics ; Physics ; Composite material ; Catalysis Copper-based nanomaterials and applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Oh Kwang Kwon | Ju Mi Jeon | Eunji Sung | ANN-YEA NA | Sun Joo Kim | Sangkyu Lee
Source: Cancer Genomics & Proteomics (article, 2018-01-01)
Field: Chemistry — Spectroscopy

Comparative Secretome Profiling and Mutant Protein Identification in Metastatic Prostate Cancer Cells by Quantitative Mass Spectrometry-based Proteomics Altered mutant peptides present in PCa tissue could be used as new biomarkers in advanced PCa. Proteogenomics ; DU145 ; Proteomics ; Prostate cancer ; Biomarker ; Cancer research ; Biology ; Quantitative proteomics ; Mutant ; Cancer ; Metastasis ; Biomarker discovery ; Computational biology ; Biochemistry ; Transcriptome ; Genetics ; Gene expression ; Gene Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Prostate Cancer Treatment and Research
Authors: Atanu Chakraborty | Chumki Dalal | Nikhil R. Jana
Source: Langmuir (article, 2018-04-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Colloidal Nanobioconjugate with Complementary Surface Chemistry for Cellular and Subcellular Targeting Chemically and biochemically functionalized colloidal nanoparticles with appropriate surface chemistry are essential for various biomedical applications. Although a variety of approaches are now available in making such functional nanoparticles and nanobioconjugates, the lack of complementary surface chemistry often leads to poor performance with respect to intended biomedical applications. This feature article will focus on our efforts to make colloidal nanobioconjugates with appropriate/complementary surface chemistry for better performance of a designed nanoprobe with respect to cellular and subcellular targeting applications. In particular, we emphasize polyacrylate-based coating chemistry followed by a conjugation strategy for transforming <10 nm inorganic nanoparticle to colloidal nanoprobe of 20-50 nm hydrodynamic size. We show that a colloidal nanoprobe can be chemically designed to control the cell-nanoparticle interaction, cellular endocytosis, and targeting/labeling of subcellular compartments. Further study should be directed to adapt this surface chemistry to different nanoparticles, fine tune the surface chemistry for targeting/imaging on the subcellular/molecular length scale, and develop a delivery nanocarrier for subcellular compartments. Nanoprobe ; Nanocarriers ; Nanotechnology ; Endocytosis ; Chemistry ; Nanoparticle ; Colloid ; Biophysics ; Cell ; Biochemistry ; Materials science ; Organic chemistry ; Biology Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticle-Based Drug Delivery ; Quantum Dots Synthesis And Properties
Authors: Ian Teasdale
Source: European Journal of Inorganic Chemistry (review, 2018-12-10)
Field: Materials Science — Polymers and Plastics

Stimuli‐Responsive Phosphorus‐Based Polymers This microreview details recent developments in stimuli-responsive polymers with phosphorus in the main-chain, in particular polyphosphazenes and polyphosphoesters. The presence of phosphorus in the polymers endows unique properties onto the macromolecules, which can be utilized for the preparation of materials capable of physically responding to specific stimuli. Achieving the desired responsiveness has been much facilitated by recent developments in synthetic polymer chemistry, in particular controlled synthesis and backbone functionalization phosphorus-based polymers, in order to achieve the required properties and hence responsiveness of the materials. The development of phosphorus-based polymers which respond to the most important stimuli are discussed, namely, pH, oxidation, reduction, temperature and biological triggers. The polymers are placed in the context not just of each other but also with reference to state-of-the-art organic polymers. Chemistry ; Phosphorus ; Polymer ; Nanotechnology ; Polymer science ; Combinatorial chemistry ; Organic chemistry Dendrimers and Hyperbranched Polymers ; Advanced Polymer Synthesis and Characterization ; Luminescence and Fluorescent Materials
Authors: Temel Öztürk | Ali Kılıçlıoğlu | Bedrettin Savaş | Bakí Hazer
Source: Journal of Macromolecular Science Part A (article, 2018-08-03)
Field: Chemistry — Organic Chemistry

Synthesis and characterization of poly(ɛ-caprolactone-co-ethylene glycol) star-type amphiphilic copolymers by “click” chemistry and ring-opening polymerization The synthesis of poly(ɛ-caprolactone-co-ethylene glycol) AAB star-type amphiphilic copolymers were carried out by use of a “click” chemistry reaction to block propargyl polyethylene glycol (propargyl-PEG) to terminally azide poly(ɛ-caprolactone) (PCL-N3). For this purpose, propargyl-PEG was synthesized by the reaction of PEGs (3000 Da, 2000 Da, 1500 Da, and 1000 Da) and propargyl chloride. Terminally chloride poly(ɛ-caprolactone) (PCL-Cl) was carried out by means of ring-opening polymerization (ROP) of ɛ-caprolactone (CL) and 3-chloro-1,2-propanediol. Synthesis of PCL-N3 was obtained by the chemical interaction of PCL-Cl and sodium azide. By reacting propargyl-PEG and PCL-N3, the star-type amphiphilic copolymers were obtained. The characterization of products was accomplished by using multiple instruments including 1H-NMR, FT-IR, GPC, TGA, contact angles, and elemental analysis techniques. Caprolactone ; Ethylene glycol ; Amphiphile ; Copolymer ; Polymer chemistry ; Propargyl ; Ring-opening polymerization ; Click chemistry ; Polymerization ; Azide ; Chemistry ; Polyethylene glycol ; PEG ratio ; Propargyl alcohol ; Materials science ; Organic chemistry ; Catalysis ; Polymer Click Chemistry and Applications ; Advanced Polymer Synthesis and Characterization ; Chemical Synthesis and Analysis
Authors: Alphonse Fiebor | Richard Tia | Banothile C. E. Makhubela | Henok H. Kinfe
Source: Beilstein Journal of Organic Chemistry (article, 2018-07-23)
Field: Chemistry — Organic Chemistry

Water-soluble SNS cationic palladium(II) complexes and their Suzuki–Miyaura cross-coupling reactions in aqueous medium Unlike their SCS analogues, SNS pincer complexes are poorly studied for their use in coupling reactions. Accordingly, a series of water soluble cationic Pd(II) SNS pincer complexes have been successfully synthesised and investigated in detail for their catalytic activity in Suzuki-Miyaura coupling reactions. By using only 0.5 mol % loading of the complexes, the coupling of inactivated aryl bromides and activated aryl chlorides with various boronic acids in water was achieved in excellent yields and the catalysts were found to be reusable for three cycles without a significant loss of activity. The investigation of the mechanism of the reaction revealed that a Pd(II) to Pd(IV) route is the more likely pathway which was further supported by computational studies. Chemistry ; Cationic polymerization ; Aryl ; Pincer movement ; Palladium ; Catalysis ; Aqueous medium ; Coupling reaction ; Suzuki reaction ; Aqueous solution ; Phenylboronic acid ; Combinatorial chemistry ; Polymer chemistry ; Organic chemistry ; Alkyl Catalytic Cross-Coupling Reactions ; Sulfur-Based Synthesis Techniques ; Synthetic Organic Chemistry Methods