jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rodica Elena Ionescu | Raphael Selon | Nicolas Pocholle | Lan Zhou | Anna Rumyantseva | Eric Bourillot | Éric Lesniewska
Source: Biosensors (article, 2018-11-27)
Field: Chemistry — Physical and Theoretical Chemistry

Microwave Spectroscopic Detection of Human Hsp70 Protein on Annealed Gold Nanostructures on ITO Glass Strips Conductive indium-tin oxide (ITO) and non-conductive glass substrates were successfully modified with embedded gold nanoparticles (AuNPs) formed by controlled thermal annealing at 550 °C for 8 h in a preselected oven. The authors characterized the formation of AuNPs using two microscopic techniques: scanning electron microscopy (SEM) and atomic force microscopy (AFM). The analytical performances of the nanostructured-glasses were compared regarding biosensing of Hsp70, an ATP-driven molecular chaperone. In this work, the human heat-shock protein (Hsp70), was chosen as a model biomarker of body stress disorders for microwave spectroscopic investigations. It was found that microwave screening at 4 GHz allowed for the first time the detection of 12 ng/µL/cm² of Hsp70. STRIPS ; Nanostructure ; Materials science ; Nanotechnology ; Colloidal gold ; Optoelectronics ; Nanoparticle ; Composite material thermodynamics and calorimetric analyses ; Microbial Inactivation Methods ; Mechanical and Optical Resonators
Authors: Nanfei He
Source: NCSU Libraries Repository (North Carolina State University Libraries) (article, 2018-12-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Graphene-Based Functional Fibers and Their Applications in Energy-Storage Textiles. HE, NANFEI.Graphene-Based Functional Fibers and Their Applications in Energy-Storage Textiles.(Under the direction of Dr Business ; Computer science ; Materials science Supercapacitor Materials and Fabrication
Authors: P. Latha | Sailaja Bandhakavi
Source: Pharmatutor (review, 2018-01-11)
Field: Chemistry — Analytical Chemistry

A Review on Analytical Methods for the estimation of Rizatriptan, an Antimigraine Drug Rizatriptan is a selective serotonin receptor agonist of the 1B and 1D sub types used in the acute treatment of migraine attacks. Effective analytical procedures are required for qualitative and quantitative determination of a drug. An extensive literature survey has been conducted in various analytical and pharmaceutical journals and the analytical methods which were developed and used for estimation of Rizatriptan in single or in combination with other drugs in bulk drugs, pharmaceutical formulations, biological fluids, stability indicating and impurity profiling methods have been reviewed. Various analytical methods used for the estimation of Rizatriptan reviewed in this paper includes Ultraviolet spectrometry, Visible spectrometry, High performance thin layer chromatography, High performance liquid chromatography, Liquid chromatography- mass spectrometry Rizatriptan ; Chromatography ; Chemistry ; Mass spectrometry ; Pharmaceutical formulation ; Drug ; Sumatriptan ; Pharmacology ; Medicine ; Agonist ; Receptor Analytical Methods in Pharmaceuticals ; Electrochemical sensors and biosensors ; Cholinesterase and Neurodegenerative Diseases
Authors: Sekhar C. Ray
Source:  (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Electronic and Magnetic Behaviors of Hydrogen Functionalized Graphene Nanostructure Material We report an investigation into the magnetic and electronic properties of partially hydrogen functionalized vertically aligned few layers graphene (FLG) synthesized by microwave plasma enhanced chemical vapor deposition process. The FLG samples are hydrogenated at different substrate temperatures (50oC - 200oC) to alter the degree of hydrogenation and their depth profile. The unique morphology of the structure gives rise to a unique geometry in which graphane (full hydrogenation) / graphone (partial hydrogenation) is supported by graphene layers in the bulk, which is very different from other widely studied structures such as one-dimensional nanoribbons. Synchrotron based x-ray absorption fine structure spectroscopy measurements have been used to investigate the electronic structure and the underlying hydrogenation mechanism responsible for the magnetic properties. While ferromagnetic interactions seem to be predominant, the presence of antiferromagnetic interaction was also observed. Free spins available via the conversion of sp2 to sp3-hybridized structures and the possibility of unpaired electrons from defects induced upon hydrogenation are thought to be likely mechanisms for the observed ferromagnetic orders. Theoretical point of view different possible reason for the formation of magnetism in Graphene materials also discussed elaborately. Graphene ; Materials science ; Ferromagnetism ; Magnetism ; Chemical vapor deposition ; Antiferromagnetism ; Nanostructure ; Hydrogen ; Graphene nanoribbons ; Graphane ; X-ray photoelectron spectroscopy ; Chemical physics ; Nanotechnology ; Electronic structure ; Spins ; Chemical engineering ; Condensed matter physics ; Chemistry ; Computational chemistry Graphene research and applications ; Graphene and Nanomaterials Applications ; Advancements in Battery Materials
Authors: Franz Wortmann | G Wortmann | Hans Martin Haake | W. Eisfeld
Source: Research Explorer (The University of Manchester) (article, 2018-04-06)
Field: Materials Science — Polymers and Plastics

Model-based analysis of the torsional loss modulus in human hair and of the effects of cosmetic processing. Torsional analysis of single human hairs is especially suited to determine the properties of the cuticle and its changes through cosmetic processing. The two primary parameters, which are obtained by free torsional oscillation using the torsional pendulum method, are storage (G’) and loss modulus (G’’), respectively. Based on previous work on G’, the current investigation focuses on G’’. The results show an increase of G’’ with a drop of G’ and vice versa, as is expected for a viscoelastic material well below its glass transition. The overall power of G’’ to discriminate between samples is quite low. This is attributed to the systematic decrease of the parameter values with increasing fiber diameter, with a pronounced correlation between G’’ and G’. Analyzing this effect on the basis of a core/shell-model for the cortex/cuticle-structure of hair by non-linear regression leads to estimates for the loss moduli of cortex (G’’co) and cuticle (G’’cu). While the values for G’’co turn out to be physically not plausible, due to limitations of the applied model, those for G’’cu are considered as generally realistic against relevant literature values. Significant differences between the loss moduli of the cuticle for the different samples provide insight into changes of the torsional energy loss due to the cosmetic processes and products, contributing towards a consistent view of torsional energy storage and loss, namely, in the cuticle of hair. Cuticle (hair) ; Materials science ; Viscoelasticity ; Dynamic modulus ; Composite material ; Modulus ; Dynamic mechanical analysis ; Anatomy ; Polymer Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Computer Graphics and Visualization Techniques
Authors: Seddiq Esalami | E Dimić | Biljana Rabrenović
Source: Grasas y Aceites (article, 2018-06-04)
Field: Chemistry — Organic Chemistry

Phytochemical profile and antioxidant capacity of virgin olive oil obtained from the olive cultivar ‘Roghiani’ from different regions of northern Libya The aim of this work was to determine the fatty acids (FA), tocopherols, phenols, and antioxidant capacity (AC) of five virgin olive oils (VOO) obtained from the olive cultivar ‘Roghiani’, from different regions of northern Libya during the crop year 2015. The parameters determined for the oils were investigated for the first time. Seven principal FAs were detected in the VOO samples. Oleic, palmitic, and linoleic acids were the dominant ones. The highest percentage of palmitic acid was found in Tripoli VOO (P ≤ 0.05). Oleic acid was dominant in all the VOO samples. Gharyan VOO possessed the highest value of oleic acid, O/L ratio, monounsaturated fatty acids (MUFA), total phenols content (TPC), total tocopherol and tocotrienol contents (TTC), and ACDPPH % (P ≤ 0.05). A strong positive relationship between TPC and (AC) as (1/EC50DPPH) was observed, (r) was +0.831. On the other hand, (1/EC50DPPH) showed a positive correlation with TTC, (r) was +0.768. Chemistry ; Palmitic acid ; Phenols ; Oleic acid ; Phytochemical ; Food science ; Cultivar ; Linoleic acid ; Tocopherol ; Olive oil ; Fatty acid ; Antioxidant ; Polyunsaturated fatty acid ; Botany ; Horticulture ; Biology ; Biochemistry ; Vitamin E Edible Oils Quality and Analysis ; Phytochemicals and Antioxidant Activities ; Antioxidant Activity and Oxidative Stress
Authors: Xin Xiong | Kexin Huang | Meng Zhang | Yu-Dan Hao | Fan Yu | Bao Li
Source: Journal of Chemical Crystallography (article, 2018-05-21)
Field: Chemistry — Inorganic Chemistry

Two Novel Coordination Polymers Based on Semi-rigid Tetrapyridine Fine-Tuned by Different Carboxylates Carboxylate ; Crystal structure ; Ligand (biochemistry) ; Chemistry ; Organometallic chemistry ; Polymer ; Crystallography ; Copper ; Ion ; Methane ; Coordination polymer ; Stereochemistry ; Organic chemistry ; Receptor Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Crystal structures of chemical compounds
Authors: Ivan Ristić | Suzana Cakić | Vојislаv Аlеksić
Source: Zastita materijala (article, 2018-03-15)
Field: Materials Science — Materials Chemistry

The influence of nanofiller on the properties of biocompatible silicone based on different network precursors The choice of starting network precursors for elastomeric material preparation is highly important in order to obtain materials for specific application. During the cross linking of macromolecules, with the choice of type and quantity of the components, it is possible to fine tuning material flexibility, mechanical and chemical characteristics. Silicones, more precisly polysiloxanes, are for sure one of most interested class of elastomeric materials. For decades silicones are under huge interest of academical and industrial researches so the fields of their potentially usages are broad (electronics, personal care products, structural engineering and textiles, medicine, sports equipment...). Silicones, because of their extraordinary properties are predestined for biomedical purposes because they are bioinert, transparent and they have excellent oxygen permeability. Great biocompatibility is partly because of its low chemical reactivity, low surface energy and hydrofobicity of polydimethylsiloxane. The purpose of this work was to determine branched structures and charachteristics of noanocomposite organofunctionals siloxanes. For synthesis were used vinyl-functionalized siloxanes and also polysiloxanes with adding of nanofillers. Cross linking of materials based on polydemitylsiloxanes and this compound was performed on 80˚C in vacuum. The chemical structure of the obtained materials was confirmed on the basis of the FTIR analysis, which confirmed the assumed mechanism of crosslinking of used silicone precursors. The influence of nanofillers on the mechanical and thermal properties of the obtained silicon is studied in detail, wherein was present a clear trend of improvement of mechanical properties of the silicone with the addition of nanofillers. Influence of nanofillers on the thermal properties of the silicone is confirmed based on DSC results. From this group of linear organic functional siloxanes, difunctional α and ω - siloxanes are more in focus of science and economy in recent times, as they are reactive agens for synthesis of organic polymers. Three cooperative influences are their inner flexibility, characteristic of lateral packing of individual macromolecules and presence of intermolecular attraction represent sensitive system of factors which have to be observed in order to acquire defined properties. Silicone ; Elastomer ; Materials science ; Polydimethylsiloxane ; Biocompatibility ; Composite material ; Silicone Elastomers ; Oxygen permeability ; Siloxane ; Polymer science ; Nanotechnology ; Polymer ; Organic chemistry ; Oxygen ; Chemistry Silicone and Siloxane Chemistry ; Dental materials and restorations ; Marine Biology and Environmental Chemistry
Authors: Manas Das | Syuzanna R. Harutyunyan
Source: CHIMIA International Journal for Chemistry (article, 2018-09-01)
Field: Chemistry — Inorganic Chemistry

Synergistic Action of Copper Catalysts and Lewis Acids in Carbon–Carbon Bond Forming Reactions Combining Lewis acids with copper catalysis and highly reactive Grignard reagents allows fine tuning of the reactivity and selectivity of both inherently unreactive and highly reactive electrophilic substrates in asymmetric C-C bond forming reactions. In this review we will discuss various examples where the application of this strategy provides access to efficient catalytic processes for the synthesis of chiral molecules such as alcohols, amides and heteroarenes. Chemistry ; Electrophile ; Catalysis ; Reactivity (psychology) ; Reagent ; Lewis acids and bases ; Combinatorial chemistry ; Copper ; Carbon fibers ; Selectivity ; Organic chemistry ; Molecule ; Reactive intermediate ; Materials science Asymmetric Hydrogenation and Catalysis ; Asymmetric Synthesis and Catalysis ; Advanced Synthetic Organic Chemistry
Authors: Saripalli V. Raghava | Bhartendu K. Srivastava | Kalluruttimmal Ramshad | Sudhadevi Antharjanam | Babu Varghese | K.M. Muraleedharan
Source: Soft Matter (article, 2018-01-01)
Field: Materials Science — Biomaterials

From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes While supramolecular organisation is central to both crystallization and gelation, the latter is more complex considering its dynamic nature and multifactorial dependence. This makes the rational design of gelators an extremely difficult task. In this report, the assembly preference of a group of peptide-based sulfamides was modulated by making them part of an acid-amine two-component system to drive the tendency from crystallization to gelation. Here, the peptide core directed the assembly while the long-chain amines, introduced through salt-bridges, promoted layering and anisotropic development of primary aggregates. This proved to be very successful, leading to gelation of a number of solvents. Apart from this, it was possible to fine-tune their aggregation using an amphiphilic polymer like F-127 as an additive to get honey-comb-like 3D molecular architectures. These gels also proved to be excellent matrices for entrapping silver nanoparticles with superior emissive properties. Supramolecular chemistry ; Crystallization ; Peptide ; Rational design ; Chemistry ; Supramolecular assembly ; Amphiphile ; Polymer ; Chemical engineering ; Amine gas treating ; Self-assembly ; Materials science ; Combinatorial chemistry ; Nanotechnology ; Organic chemistry ; Molecule ; Copolymer Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Photochromic and Fluorescence Chemistry
Authors: Mikhail Ladanov | Surya Cheemalapati | Hao Wang | Yuan Yuan | Piyush Koria | Anna Pyayt
Source: RSC Advances (article, 2018-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmono-magnetic material for precise photothermal heating Noble metal nanoparticles have been extensively studied as photo-sensitive agents for photothermal cancer therapy. Precise control over the size and shape of the nanoparticles allowed strong optical absorption and efficient heat generation necessary for destroying a tumor to be achieved. However, one of the fundamental challenges of application of the nanoparticles towards photothermal cancer therapy is low specificity in the targeting tumor tissue in comparison with the healthy tissue and the resulting unfavorable biodistribution of the nanoparticles. Additional levels of control over particle distribution can be achieved by making the particles magnetic and using external magnets to control their accumulation in a tumor. Since the direct synthesis of particles with a magnetic core and a metallic shell limits the options for design and fine-tuning of plasmonic properties, the alternative approaches to the design of such materials have to be investigated. Here we propose and demonstrate a new design of a hybrid plasmono-magnetic material for photothermal heating created by grafting Au nanocages onto a surface of magnetic micro-beads. Next, we confirm its dual functionality in <i>in vitro</i> studies and show that individual hybrid particles can be magnetically controlled with a precision of a few micrometers and precisely destroy individual cells using plasmonic heating. Photothermal therapy ; Nanocages ; Materials science ; Nanoparticle ; Nanotechnology ; Biodistribution ; Magnetic nanoparticles ; Heat generation ; Plasmon ; Absorption (acoustics) ; Magnet ; Optoelectronics ; Chemistry ; Composite material ; In vitro Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics
Authors: А. Н. Залога | P. S. Dubinin | Igor S. Yakimov | Oksana E. Bezrukovа | Sergey Burakov | Konstantin A. Gusev | Maria Semenkina
Source: Industrial laboratory Diagnostics of materials (article, 2018-04-05)
Field: Materials Science — Materials Chemistry

EVOLUTIONARY QUANTITATIVE FULL-PROFILE X-RAY PHASE ANALYSIS BASED ON THE RIETVELD METHOD, A SELF-CONFIGURABLE MULTIPOPULATION GENETIC ALGORITHM AND ELEMENTAL ANALYSIS DATA We developed a self configuring genetic algorithm to quantify phase concentrations in a crystalline sample from powder X-ray diffraction data. The algorithm does not require the fine-tuning of parameters, which is inherent to most evolutionary algorithms. The software executing the algorithm uses parallel computing and allows performing reference-free quantitative phase analysis on a personal computer, a computing cluster or with the help of a computer network. The suggested method was tested on a set of trial samples with known composition. It was demonstrated that one may use data on the chemical composition of a sample to increase the accuracy of quantitative phase analysis. Computer science ; Genetic algorithm ; Algorithm ; Sample (material) ; Software ; Set (abstract data type) ; Phase (matter) ; Data set ; Personal computer ; Data mining ; Artificial intelligence ; Chemistry ; Machine learning ; Computer hardware X-ray Diffraction in Crystallography ; Traditional Chinese Medicine Studies
Authors: Yang Ye | Luis A. Serrano | Stefan Guldin
Source: ChemRxiv (preprint, 2018-02-01)
Field: Materials Science — Materials Chemistry

A Versatile AuNP Synthetic Platform for Decoupled Control of Size and Surface Composition While a plethora of protocols exist for the synthesis of sub-10 nm gold nanoparticles (AuNPs), the independent control over size and surface composition remains restricted. This poses a particular challenge for systematic studies of AuNP structure-function relationships and optimization of crucial design parameters. To this end, we report on a modular 2-step approach based on the synthesis of AuNPs in oleylamine (OAm) followed by the subsequent functionalization with target thiol ligands. The synthesis of OAm-capped AuNPs enables fine tuning of the core size in the range of 2–7nm by varying the reaction temperature. The subsequent thiol-for-OAm ligand-exchange allows a reliable generation of thiol-capped AuNPs with target surface functionality. The compatibility of this approach with a vast library of thiol ligands provides detailed control of mixed ligand composition and solubility in a wide range of solvents ranging from water to hexane. This decoupled control over the AuNP core and ligand shell provides a powerful toolbox for the methodical screening of optimal design parameters and facile preparation of AuNPs with target properties. Oleylamine ; Nanotechnology ; Ligand (biochemistry) ; Surface modification ; Nanoparticle ; Thiol ; Combinatorial chemistry ; Modular design ; Materials science ; Colloidal gold ; Chemistry ; Computer science ; Organic chemistry Nanocluster Synthesis and Applications ; Nanomaterials for catalytic reactions ; Quantum Dots Synthesis And Properties
Authors: Junhe Lian | Wenqi Liu | Ioanna Papadioti | Ilias Bellas | Sarath Chandran | Patricia Verleysen | Helmut Richter | N. Aravas | Sebastian Münstermann
Source: Procedia Structural Integrity (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Plasticity and failure behavior modeling of high-strength steels under various strain rates and temperatures: microstructure to components The aim of this study is to establish an integrated material modelling approach, micro, macro and component scales, for investigating the plasticity, damage and fracture behaviour of modern high-strength steels under various strain rates and temperatures. With the established relations between different scales, the approach ultimately provides a knowledge-based and efficient alternative for the damage-tolerant microstructure design to the conventional empirical rules. In this study, we will present the models working at different scales and the scaling strategy between them. For a more general application than quasistatic and room temperature, the models are formulated with strain rate and temperature dependency. All models are calibrated by experiments on the corresponding scale and also validated by experiments not involved in the calibration procedure or tests from a higher length scale. As the ultimate goal of the approach is to guide the microstructure design, a fine-resolution digital representation of the microstructure is targeted in the study. In addition to the standard phase fraction, grain size and shape features, fine-tuning of the microstructural features, such as texture and misorientation distribution is also implemented into the synthetic microstructure model. The impact of these individual microstructure features and their combination on the macroscopic and component level performance is studied and the optimized microstructure for the desired improvement of the mechanical property can be identified by the proposed approach. Microstructure ; Materials science ; Misorientation ; Plasticity ; Scaling ; Quasistatic process ; Strain rate ; Texture (cosmology) ; Component (thermodynamics) ; Grain size ; Composite material ; Computer science ; Grain boundary ; Thermodynamics ; Mathematics ; Geometry High-Velocity Impact and Material Behavior ; Metal Forming Simulation Techniques ; Microstructure and mechanical properties