jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nabilah Afiqah Mohd Radzuan | Nur Farhani Ismail | Mohd Khairul Fadzly Md Radzi | Zakaria Razak | Izdihar Binti Tharizi | Abu Bakar Sulong | Che Hassan Che Haron | Norhamidi Muhamad
Source: Polymers (article, 2019-10-17)
Field: Materials Science — Polymers and Plastics

Kenaf Composites for Automotive Components: Enhancement in Machinability and Moldability To date, the mechanical performance of kenaf composites is still unsatisfied in term of its mechanical performance. Therefore, research focuses on kenaf composites fabrication through the selection of polymer resin, including epoxy, polypropylene, and polylactic acid. The incorporated kenaf fibre at 10 wt % to 40 wt % loadings was conducted using injection and a compression moulding process. The compressed materials indicated high tensile strength at 240 MPa compared to inject materials (60 MPa). Significant improvement on impact strength (9 kJ/m<sup>2</sup>) was due to the unpulled-out fibre that dispersed homogenously and hence minimize the microcrack acquire. Meanwhile, high flexural strength (180 MPa) obtained by kenaf/epoxy composites due to the fibre orientate perpendicular to the loading directions, which improve its mechanical properties. The findings indicate that the kenaf fibre reinforced thermoset materials exhibit better mechanical properties as a function to the battery tray applications. Kenaf ; Materials science ; Composite material ; Flexural strength ; Epoxy ; Ultimate tensile strength ; Polypropylene ; Izod impact strength test ; Injection moulding ; Machinability ; Thermosetting polymer ; Fabrication ; Fiber ; Machining Natural Fiber Reinforced Composites ; Mechanical Engineering and Vibrations Research ; Mechanical Behavior of Composites
Authors: Erislene S. Almeida | Ariane Cristina Boechie Carvalho | Isabela Oliveira de Souza Soares | Leonardo Fonseca Valadares | Andressa Regina Vasques Mendonça | Ivanildo José da Silva | Simone Monteiro
Source: Food Research International (article, 2019-01-02)
Field: Chemistry — Organic Chemistry

Elucidating how two different types of bleaching earths widely used in vegetable oils industry remove carotenes from palm oil: Equilibrium, kinetics and thermodynamic parameters Adsorption ; Chemistry ; Kinetics ; Diffusion ; Palm oil ; Chromatography ; Chemical engineering ; Organic chemistry ; Thermodynamics Edible Oils Quality and Analysis ; Food Chemistry and Fat Analysis ; Proteins in Food Systems
Authors: Tatsuya Kawasaki | Junko Matsuda | Yuya Tachikawa | Stephen Matthew Lyth | Yusuke Shiratori | Shunsuke Taniguchi | Kazunari Sasaki
Source: International Journal of Hydrogen Energy (article, 2019-03-14)
Field: Materials Science — Materials Chemistry

Oxidation-induced degradation and performance fluctuation of solid oxide fuel cell Ni anodes under simulated high fuel utilization conditions Anode ; Electrolyte ; Solid oxide fuel cell ; Polarization (electrochemistry) ; Materials science ; Ohmic contact ; Oxidizing agent ; Oxide ; Chemical engineering ; Degradation (telecommunications) ; Electrode ; Chemistry ; Metallurgy ; Composite material ; Electrical engineering Advancements in Solid Oxide Fuel Cells ; Electrocatalysts for Energy Conversion ; Electronic and Structural Properties of Oxides
Authors: Zengxiao Cai | Rechana Remadevi | Md Abdullah Al Faruque | Mohan Setty | Linpeng Fan | Abu Naser Md Ahsanul Haque | Maryam Naebe
Source: RSC Advances (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Fabrication of a cost-effective lemongrass (<i>Cymbopogon citratus</i>) membrane with antibacterial activity for dye removal Dye wastewater has attracted much attention due to its severe environmental and health problems. The main challenge of separating dyes from wastewater, using adsorption, is developing a functional adsorbent that is cost-effective and sustainable. In this work, we have fabricated a novel low-cost membrane with antibacterial properties from naturally sustainable lemongrass (LG). Lemongrass was cut and milled into powder, then dissolved to prepare a lemongrass membrane. Graphene oxide (GO) was also included to prepare a LG/GO composite membrane. The physiochemical and antibacterial properties of membranes were evaluated and their dye adsorption capability was examined using methylene blue (MB) dye at different concentrations. The kinetic study revealed that the MB adsorption process complied with the pseudo second-order model. The lemongrass membrane showed a rough surface morphology, high reduced modulus and hardness, yet comparable dye adsorption to the LG/GO composite membrane. Considering the natural sustainability of lemongrass as an abundant cellulosic resource, its excellent dye adsorption, antibacterial properties and low cost as well as the facile fabrication technology, the lemongrass membrane could be a promising candidate for dye removal from wastewater with easy separation after use. Adsorption ; Membrane ; Methylene blue ; Chemical engineering ; Wastewater ; Materials science ; Chemistry ; Nuclear chemistry ; Organic chemistry ; Waste management ; Catalysis ; Photocatalysis Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Nanomaterials for catalytic reactions
Authors: M. Soriful Islam | Arifuzzaman ARİFUZZAMAN | Monjur RAHMAN | Mohammad A. Rahman | Sarkar M. A. Kawsar
Source: Hacettepe Journal of Biology and Chemistry (article, 2019-09-18)
Field: Chemistry — Organic Chemistry

Novel Methyl 4,6-O-Benzylidene--D-Glucopyranoside Derivatives: Synthesis, Structural Characterization and Evaluation of Antibacterial Activities Carbohydrates are the most abundant and the most diverse biopolymers in nature. Due to the importance of carbohydrates it is necessary to develop a new method for the synthesis of carbohydrate based drugs of the current global situation for health and disease. In this present work we demonstrate the synthesis of methyl 4,6-O-benzylidene--Dglucopyranoside derivatives by direct acylation method. The structures of the newly prepared compounds have been characterized and elucidated using various physico-chemical and spectroscopic methods including elemental analysis, melting point determination, infrared and proton NMR spectroscopy. A number of acyl derivatives were prepared in order to obtain a series of newer components for antibacterial screening experiments. These acylated derivatives were evaluated for in vitro antibacterial screening studies against four human pathogenic bacteria by disc diffusion method. Acylation ; Antibacterial activity ; Chemistry ; Melting point ; Combinatorial chemistry ; Elemental analysis ; Infrared spectroscopy ; Chemical structure ; Characterization (materials science) ; Chemical synthesis ; Organic chemistry ; Bacteria ; In vitro ; Materials science ; Biochemistry ; Nanotechnology ; Catalysis ; Biology Carbohydrate Chemistry and Synthesis ; Natural product bioactivities and synthesis ; Phytochemistry and Biological Activities
Authors: Hong Je Cho | Nicholas S. Gould | Vivek Vattipalli | Sanket Sabnis | Watcharop Chaikittisilp | Tatsuya Okubo | Bingjun Xu | Wei Fan
Source: Microporous and Mesoporous Materials (article, 2019-01-02)
Field: Materials Science — Materials Chemistry

Fabrication of hierarchical Lewis acid Sn-BEA with tunable hydrophobicity for cellulosic sugar isomerization Isomerization ; Sugar ; Cellulosic ethanol ; Fabrication ; Chemistry ; Lewis acids and bases ; Chemical engineering ; Organic chemistry ; Cellulose ; Materials science ; Catalysis Mesoporous Materials and Catalysis ; Catalysis for Biomass Conversion ; Zeolite Catalysis and Synthesis
Authors: Katharigatta N. Venugopala | Christophe Tratrat | Sandeep Chandrashekharappa | Mahesh Attimarad | Nagaraja Sreeharsha | Anroop B. Nair | Pottathil Shinu | Rashmi Venugopala | Omar Husham Ahmed Al-Attraqchi | Mohamed A. Morsy | Michelyne Haroun | Bharti Odhav
Source: Indian Journal of Pharmaceutical Education and Research (article, 2019-07-03)
Field: Chemistry — Organic Chemistry

Anti-tubercular Potency and Computationallyassessed Drug-likeness and Toxicology of Diversely Substituted Indolizines Background: Several promising compounds against multi-drug-resistant Mycobacterium tuberculosis (MTB) are currently in the drug discovery and development pipeline. While it has yet to establish candidature in this pipeline, early results have been promising for the putative anti-mycobacterial potency of the indolizine scaffold. Methods: The molecular properties, as well as the Absorption, Disruption, Metabolism, Excretion and Toxicity (ADMET) of indolizines were assessed using the Accelry's Discovery Studio 4.0 client package. Results: The current study evaluated the in vitro potency of 14 diversely substituted indolizine congeners against H37Rv and multi-drug-resistant strains of M. tuberculosis. While all 14 congeners showed potent anti-mycobacterial activity, only three of them had optimal drug-likeness and toxicology, as per in silico evaluations. Indolizine ; Potency ; Drug ; In silico ; Mycobacterium tuberculosis ; Bedaquiline ; Drug discovery ; Chemistry ; Pharmacology ; Tuberculosis ; Toxicology ; Stereochemistry ; In vitro ; Medicine ; Biology ; Biochemistry Synthesis and Reactivity of Heterocycles ; Cancer therapeutics and mechanisms ; Synthesis and bioactivity of alkaloids
Authors: Sayed K. Ramadan | Eman A. E. El‐Helw | Hanan A. Sallam
Source: Heterocyclic Communications (article, 2019-01-01)
Field: Chemistry — Organic Chemistry

Cytotoxic and antimicrobial activities of some novel heterocycles employing 6-(1,3-diphenyl-1 <i>H</i> -pyrazol-4-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile Abstract A pyrimidinethione derivative namely, 6-(1,3-diphenyl-1 H -pyrazol-4-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, was readily synthesized and reacted with carbon electrophiles in an attempt to synthesize selected fused heterocycles. The reactivity of 6-(1,3-diphenyl-1 H -pyrazol-4-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile was investigated towards selected nitrogen nucleophiles. Thiation and hydrolysis reactions of the tetrahydropyrimidine derivative were investigated. Antitumor and antimicrobial activity evaluation of some of the synthesized products exhibited promising results. Chemistry ; Antimicrobial ; Electrophile ; Derivative (finance) ; Nucleophile ; Reactivity (psychology) ; Combinatorial chemistry ; Hydrolysis ; Medicinal chemistry ; Stereochemistry ; Organic chemistry Synthesis and biological activity ; Synthesis of heterocyclic compounds ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Xin Chen | Haofei Zhou | Yumeng Li
Source: Materials & Design (article, 2019-08-02)
Field: Materials Science — Materials Chemistry

Effective design space exploration of gradient nanostructured materials using active learning based surrogate models Inspired by gradient structures in the nature, Gradient Nanostructured (GNS) metals have emerged as a new class of materials with tunable microstructures. GNS metals can exhibit unique combinations of material properties in terms of ultrahigh strength, good tensile ductility and enhanced strain hardening, superior fatigue and wear resistance. However, it is still challenging to fully understand the fundamental gradient structure-property relationship, which hinders the rational design of GNS metals with optimized target properties. In this paper, we developed an adaptive design framework based on surrogate modeling to investigate how the grain size gradient and twin thickness gradient affect the strength of GNS metals. The Gaussian Process (GP) based surrogate modeling technique with adaptive sequential sampling is employed to develop the surrogate models for the gradient structure-property relationship. The proposed adaptive design integrates physics-based simulation, surrogate modeling, uncertainty quantification and optimization, which can efficiently explore the design space and identify the optimized design of GNS metals with maximum strength using limited sampling data generated from high fidelity but computational expensive physics-based simulations. Materials science ; Surrogate model ; Kriging ; Gaussian process ; Gaussian ; Material Design ; High fidelity ; Ultimate tensile strength ; Engineering design process ; Biological system ; Nanotechnology ; Computer science ; Mechanical engineering ; Composite material ; Machine learning Microstructure and mechanical properties ; Titanium Alloys Microstructure and Properties ; Machine Learning in Materials Science
Authors: Ana G. Herraiz | Marcos G. Suero
Source: Chemical Science (article, 2019-01-01)
Field: Chemistry — Organic Chemistry

A transition-metal-free &amp; diazo-free styrene cyclopropanation An operationally simple and broadly applicable novel cyclopropanation of styrenes using <i>gem</i>-diiodomethyl carbonyl reagents has been developed. Visible-light triggered the photoinduced generation of iodomethyl carbonyl radicals, able to cyclopropanate a wide array of styrenes with excellent chemoselectivity and functional group tolerance. To highlight the utility of our photocyclopropanation, we demonstrated the late-stage functionalization of biomolecule derivatives. Cyclopropanation ; Diazo ; Styrene ; Transition metal ; Chemistry ; Polymer chemistry ; Organic chemistry ; Catalysis ; Copolymer Cyclopropane Reaction Mechanisms ; Fluorine in Organic Chemistry ; Catalytic Cross-Coupling Reactions
Authors: Hatem M. Titi | Mihails Arhangelskis | Athanassios D. Katsenis | Cristina Mottillo | Ghada Ayoub | Jean‐Louis Do | Athena M. Fidelli | Robin D. Rogers | Tomislav Friščić
Source: Chemistry of Materials (article, 2019-06-03)
Field: Chemistry — Inorganic Chemistry

Metal–Organic Frameworks as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs Systematic investigation of combustion energies for popular metal–organic framework materials reveals energy content comparable to conventional energetic materials, which can be further modified and fine-tuned through the control of framework topology or isostructural ligand replacement to yield energy densities comparable to conventional energetic materials such as trinitrotoluene and hydrazine-, diesel-, or kerosene-based fuels. Isostructural ; Energetic material ; Metal-organic framework ; Combustion ; Materials science ; Hydrazine (antidepressant) ; Yield (engineering) ; Trinitrotoluene ; Nanotechnology ; Chemical engineering ; Process engineering ; Explosive material ; Organic chemistry ; Chemistry ; Metallurgy ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Energetic Materials and Combustion ; Boron and Carbon Nanomaterials Research
Authors: Arianna Sinibaldi | Valeria Nori | Andrea Baschieri | Francesco Fini | Antonio Arcadi | Armando Carlone
Source: Catalysts (article, 2019-11-06)
Field: Chemistry — Organic Chemistry

Organocatalysis and Beyond: Activating Reactions with Two Catalytic Species Since the beginning of the millennium, organocatalysis has been gaining a predominant role in asymmetric synthesis and it is, nowadays, a foundation of catalysis. Synergistic catalysis, combining two or more different catalytic cycles acting in concert, exploits the vast knowledge acquired in organocatalysis and other fields to perform reactions that would be otherwise impossible. Merging organocatalysis with photo-, metallo- and organocatalysis itself, researchers have ingeniously devised a range of activations. This feature review, focusing on selected synergistic catalytic approaches, aims to provide a flavor of the creativity and innovation in the area, showing ground-breaking examples of organocatalysts, such as proline derivatives, hydrogen bond-mediated, Cinchona alkaloids or phosphoric acids catalysts, which work cooperatively with different catalytic partners. Organocatalysis ; Catalysis ; Chemistry ; Enantioselective synthesis ; Organic synthesis ; Organic chemistry Asymmetric Synthesis and Catalysis ; Oxidative Organic Chemistry Reactions ; Chemical Synthesis and Reactions
Authors: Bruno Pinho | Laura Torrente‐Murciano
Source: Reaction Chemistry & Engineering (article, 2019-12-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Continuous manufacturing of silver nanoparticles between 5 and 80 nm with rapid online optical size and shape evaluation Flexible manufacturing technology of nanoparticles with sizes between 5 and 80 nm. This unique size flexibility is enabled by coupling rapid online spectroscopy and a mathematical Mie theory-based algorithm for size and shape evaluation. Flexibility (engineering) ; Silver nanoparticle ; Nanoparticle ; Materials science ; Particle size ; Coupling (piping) ; Nanotechnology ; Chemical engineering ; Mathematics ; Composite material ; Engineering ; Statistics Gold and Silver Nanoparticles Synthesis and Applications ; Quantum Dots Synthesis And Properties ; Nonlinear Optical Materials Studies
Authors: Tomomi Nonoyama | Elena Kazamia | Hermanus Nawaly | Xia Gao | Yoshinori Tsuji | Yusuke Matsuda | Chris Bowler | Tsuyoshi Tanaka | Richard G. Dorrell
Source: Biomolecules (review, 2019-07-30)
Field: Materials Science — Biomaterials

Metabolic Innovations Underpinning the Origin and Diversification of the Diatom Chloroplast <b>:</b> Of all the eukaryotic algal groups, diatoms make the most substantial contributions to photosynthesis in the contemporary ocean. Understanding the biological innovations that have occurred in the diatom chloroplast may provide us with explanations to the ecological success of this lineage and clues as to how best to exploit the biology of these organisms for biotechnology. In this paper, we use multi-species transcriptome datasets to compare chloroplast metabolism pathways in diatoms to other algal lineages. We identify possible diatom-specific innovations in chloroplast metabolism, including the completion of tocopherol synthesis via a chloroplast-targeted tocopherol cyclase, a complete chloroplast ornithine cycle, and chloroplast-targeted proteins involved in iron acquisition and CO<sub>2</sub> concentration not shared between diatoms and their closest relatives in the stramenopiles. We additionally present a detailed investigation of the chloroplast metabolism of the oil-producing diatom <i>Fistulifera</i><i>solaris</i>, which is of industrial interest for biofuel production. These include modified amino acid and pyruvate hub metabolism that might enhance acetyl-coA production for chloroplast lipid biosynthesis and the presence of a chloroplast-localised squalene synthesis pathway unknown in other diatoms. Our data provides valuable insights into the biological adaptations underpinning an ecologically critical lineage, and how chloroplast metabolism can change even at a species level in extant algae. Chloroplast ; Biology ; Diatom ; Algae ; Extant taxon ; Photosynthesis ; De novo transcriptome assembly ; Transcriptome ; Ecology ; Botany ; Evolutionary biology ; Biochemistry ; Gene Diatoms and Algae Research ; Microbial Community Ecology and Physiology ; Algal biology and biofuel production
Authors: Swatchith Lal | Devendraprakash Gautam | Kafil M. Razeeb
Source: APL Materials (article, 2019-03-01)
Field: Materials Science — Materials Chemistry

Optimization of annealing conditions to enhance thermoelectric performance of electrodeposited p-type BiSbTe thin films In this work, we report the optimization of annealing process to improve the thermoelectric properties of pulse electrodeposited bismuth antimony telluride (Bi–Sb–Te) films by varying the annealing time-temperature profile. The innovative approach of sandwiched Te in between the Bi–Sb–Te layers aids in compensating the loss of tellurium during the annealing of BiSbTe thin films. An optimized Seebeck coefficient of 90.5 µV/K along with a power factor of 240 µW/mK2 is achieved for samples annealed at 350 °C for 1 h under N2 atmosphere with controlled heating and cooling rates. These improvements are attributed to a significant decrease in the carrier concentration as substantiated by the Hall measurements and to the increase in the crystallite size at the elevated temperatures as indicated by the X-ray diffraction pattern data. A comprehensive study on the annealing parameters reveals that the Seebeck coefficient and the electrical conductivity are considerably more sensitive to the annealing temperature than compared to the annealing time. Materials science ; Annealing (glass) ; Seebeck coefficient ; Thermoelectric effect ; Bismuth telluride ; Thin film ; Crystallite ; Electrical resistivity and conductivity ; Thermoelectric materials ; Bismuth ; Tellurium ; Analytical Chemistry (journal) ; Hall effect ; Optoelectronics ; Metallurgy ; Composite material ; Nanotechnology ; Thermal conductivity ; Thermodynamics ; Electrical engineering Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Transition Metal Oxide Nanomaterials
Authors: Suchandrima Das | Hongbing Yu | Edmund Tarleton | Felix Hofmann
Source: Scientific Reports (article, 2019-12-04)
Field: Materials Science — Materials Chemistry

Hardening and Strain Localisation in Helium-Ion-Implanted Tungsten Tungsten is the main candidate material for plasma-facing armour components in future fusion reactors. In-service, fusion neutron irradiation creates lattice defects through collision cascades. Helium, injected from plasma, aggravates damage by increasing defect retention. Both can be mimicked using helium-ion-implantation. In a recent study on 3000 appm helium-implanted tungsten (W-3000He), we hypothesized helium-induced irradiation hardening, followed by softening during deformation. The hypothesis was founded on observations of large increase in hardness, substantial pile-up and slip-step formation around nano-indents and Laue diffraction measurements of localised deformation underlying indents. Here we test this hypothesis by implementing it in a crystal plasticity finite element (CPFE) formulation, simulating nano-indentation in W-3000He at 300 K. The model considers thermally-activated dislocation glide through helium-defect obstacles, whose barrier strength is derived as a function of defect concentration and morphology. Only one fitting parameter is used for the simulated helium-implanted tungsten; defect removal rate. The simulation captures the localised large pile-up remarkably well and predicts confined fields of lattice distortions and geometrically necessary dislocation underlying indents which agree quantitatively with previous Laue measurements. Strain localisation is further confirmed through high resolution electron backscatter diffraction and transmission electron microscopy measurements on cross-section lift-outs from centre of nano-indents in W-3000He. Tungsten ; Electron backscatter diffraction ; Hardening (computing) ; Softening ; Dislocation ; Transmission electron microscopy ; Plasticity ; Diffraction ; Fusion ; Strain hardening exponent Fusion materials and technologies ; Metal and Thin Film Mechanics ; Microstructure and mechanical properties