jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xinbo Huang | Tingting Nie | Ye Zhang | Xiaoling Zhang
Source: IEEE Access (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Study on Hydrophobicity Detection of Composite Insulators of Transmission Lines by Image Analysis Hydrophobicity of the composite insulators is a parameter which is closely related to the insulation properties. In order to determine whether the insulator in the transmission line needs to be withdrawn, it is necessary to objectively and accurately determine the hydrophobicity grade of the composite insulator. The study on hydrophobicity detection of composite insulators of transmission lines by image analysis is proposed in this paper, by which the hydrophobicity of composite insulators can be measured timely. The grayscale, median filtering, and histogram equalization of the hydrophobic images are fulfilled sequentially, and the water drops (or water marks) region is segmented by binary large object analysis and four parameters related to water repellency are extracted. In addition, the improved support vector machine algorithm is adopted to calculate the hydrophobicity of composite insulators. The results show that seven typical hydrophobic levels of insulators can be recognized by the proposed hydrophobicity detection method whose accuracy is more than 91%. Composite number ; Electric power transmission ; Transmission (telecommunications) ; Materials science ; Composite material ; Computer science ; Telecommunications ; Electrical engineering ; Engineering High voltage insulation and dielectric phenomena ; Aerosol Filtration and Electrostatic Precipitation ; Thermal Analysis in Power Transmission
Authors: Lemonia-Christina Fengou | Evgenia D. Spyrelli | Alexandra Lianou | Panagiοtis Tsakanikas | Efstathios Ζ. Panagou | George‐John E. Nychas
Source: Foods (article, 2019-07-01)
Field: Chemistry — Analytical Chemistry

Estimation of Minced Pork Microbiological Spoilage through Fourier Transform Infrared and Visible Spectroscopy and Multispectral Vision Technology Spectroscopic and imaging methods coupled with multivariate data analysis have been increasingly studied for the assessment of food quality. The objective of this work was the estimation of microbiological quality of minced pork using non-invasive spectroscopy-based sensors. For this purpose, minced pork patties were stored aerobically at different isothermal (4, 8, and 12 °C) and dynamic temperature conditions, and at regular time intervals duplicate samples were subjected to (i) microbiological analyses, (ii) Fourier transform infrared (FTIR) and visible (VIS) spectroscopy measurements, and (iii) multispectral image (MSI) acquisition. Partial-least squares regression models were trained and externally validated using the microbiological/spectral data collected at the isothermal and dynamic temperature storage conditions, respectively. The root mean squared error (RMSE, log CFU/g) for the prediction of the test (external validation) dataset for the FTIR, MSI, and VIS models was 0.915, 1.173, and 1.034, respectively, while the corresponding values of the coefficient of determination (R2) were 0.834, 0.727, and 0.788. Overall, all three tested sensors exhibited a considerable potential for the prediction of the microbiological quality of minced pork. Multispectral image ; Partial least squares regression ; Fourier transform infrared spectroscopy ; Food spoilage ; Coefficient of determination ; Chemometrics ; Mean squared error ; Isothermal process ; Analytical Chemistry (journal) ; Spectroscopy ; Mathematics ; Chemistry ; Environmental science ; Food science ; Materials science ; Statistics ; Computer science ; Artificial intelligence ; Chromatography ; Optics ; Physics ; Biology Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Listeria monocytogenes in Food Safety
Authors: Taiana Guimarães Arriel | Fernanda Maria Guedes Ramalho | Rebeca Alves Barreto Lima | Kelly Iapuque Rodrigues de Sousa | Paulo Ricardo Gherardi Hein | Paulo Fernando Trugilho
Source: CERNE (article, 2019-07-01)
Field: Chemistry — Analytical Chemistry

DEVELOPING NEAR INFRARED SPECTROSCOPIC MODELS FOR PREDICTING DENSITY OF Eucalyptus WOOD BASED ON INDIRECT MEASUREMENT The objective of this study was to establish multivariate models for the prediction of wood basic density with reference to the values of average density of trees and near infrared (NIR) spectra measured in the breast height. The wood basic density of 39 Eucalyptus clones was determined in the laboratory by means of the mean longitudinal positions of 0%, 2%, 10%, 30%, 50% and 75% of the commercial height of the tree by the gravimetric method. NIR spectra were recorded using a spectrometer using optical fiber probe and integrating sphere directly on the transverse plane of the solid wood in disks collected from diameter at breast height and later in the sawdust. The performance of the NIR based models was evaluated according to the spectral acquisition method and sample preparation. The results showed that the best model for basic density estimation using indirect measurements was developed from the average spectra per clone measured in solid wood disks (R2cv of 0.77 and RMSEcv of 15 kg.m-³). Solid wood ; Sawdust ; Diameter at breast height ; Eucalyptus ; Near-infrared spectroscopy ; Materials science ; Mathematics ; Gravimetric analysis ; Analytical Chemistry (journal) ; Optics ; Botany ; Chemistry ; Physics ; Composite material ; Chromatography ; Biology Spectroscopy and Chemometric Analyses ; Wood Treatment and Properties ; Forest ecology and management
Authors: Abdulhakim Sharaf Eddin | Reza Tahergorabi
Source: Coatings (article, 2019-03-22)
Field: Materials Science — Biomaterials

Efficacy of Sweet Potato Starch-Based Coating to Improve Quality and Safety of Hen Eggs during Storage Egg deterioration occurs during storage time, which leads to quality loss. Thus, different preservations methods have been used to extend the shelf-life and maintain the safety of eggs. Edible coating materials based on biopolymers, such as starches and other renewable sources, have been used for different food products and been identified as an effective method of food preservation. In this study, eggs were coated with edible coatings prepared from sweet potato starch (SPS) and varying levels of thyme essential oil (TEO), including 0 (control), 2%, 4%, and 6%. The quality and safety of the coated and uncoated eggs during five weeks of storage at 25 °C were studied. The application of 4% TEO in SPS-based coatings maintained the quality and safety of eggs two weeks longer than non-coated eggs. This study showed that the SPS-TEO coating could be useful in extending the shelf life of eggs during storage time, by delaying changes in egg quality. Shelf life ; Coating ; Starch ; Food science ; Food preservation ; Food safety ; Food quality ; Modified starch ; Chemistry ; Materials science ; Composite material Nanocomposite Films for Food Packaging ; Animal Nutrition and Physiology ; Essential Oils and Antimicrobial Activity
Authors: Ming Tang | Neha S. Gandhi | Kevin Burrage | Yuantong Gu
Source: Langmuir (article, 2019-03-13)
Field: Materials Science — Biomaterials

Adsorption of Collagen-like Peptides onto Gold Nanosurfaces The molecular behavior of proteins in the presence of inorganic surfaces is of fundamental biological significance. Examples include extracellular matrix proteins interacting with gold nanoparticles and metallic implant biomaterials, such as titanium and stainless steels. Uncharged inorganic surfaces that interact strongly with the solution phase (hydrophilic surfaces) have been commonly used in disease treatments. A deep understanding of the molecular behavior of body proteins in the presence of hydrophilic surfaces is important in terms of clinical applications. However, the adsorption mechanism of proteins onto hydrophilic surfaces remains not fully understood. Here, comprehensive molecular dynamics simulations are carried out to study the molecular response of a human collagen molecule segment (CMS) to the presence of a planar gold surface (AuNS) in explicit solvent, aiming to unravel the adsorption mechanism of proteins onto hydrophilic surfaces. The results demonstrate that in the presence of AuNS, the CMS first biasedly diffuses toward AuNS, followed by anchoring to the gold surface, and finally adsorbs stepwise onto AuNS, where the protein adjusts its structure to maximize the interaction with AuNS. We conclude that adsorption of proteins onto hydrophilic surfaces adheres to three steps, namely, biased diffusion, anchoring, and stepwise adsorption accompanied by structural adaptation. The obtained adsorption mechanism provides insights into the development of inorganic surfaces for biomedical and therapeutic applications. Adsorption ; Chemistry ; Protein adsorption ; Molecule ; Molecular dynamics ; Surface forces apparatus ; Biophysics ; Colloidal gold ; Extracellular matrix ; Nanotechnology ; Nanoparticle ; Chemical engineering ; Materials science ; Biochemistry ; Organic chemistry ; Computational chemistry Collagen: Extraction and Characterization ; Polymer Surface Interaction Studies ; Marine Biology and Environmental Chemistry
Authors: Tim Tichter | Jonathan Schneider | Dirk Andrae | Marcus Gebhard | Christina Roth
Source: ChemPhysChem (article, 2019-12-16)
Field: Chemistry — Electrochemistry

Universal Algorithm for Simulating and Evaluating Cyclic Voltammetry at Macroporous Electrodes by Considering Random Arrays of Microelectrodes An algorithm for the simulation and evaluation of cyclic voltammetry (CV) at macroporous electrodes such as felts, foams, and layered structures is presented. By considering 1D, 2D, and 3D arrays of electrode sheets, cylindrical microelectrodes, hollow-cylindrical microelectrodes, and hollow-spherical microelectrodes the internal diffusion domains of the macroporous structures are approximated. A universal algorithm providing the time-dependent surface concentrations of the electrochemically active species, required for simulating cyclic voltammetry responses of the individual planar, cylindrical, and spherical microelectrodes, is presented as well. An essential ingredient of the algorithm, which is based on Laplace integral transformation techniques, is the use of a modified Talbot contour for the inverse Laplace transformation. It is demonstrated that first-order homogeneous chemical kinetics preceding and/or following the electrochemical reaction and electrochemically active species with non-equal diffusion coefficients can be included in all diffusion models as well. The proposed theory is supported by experimental data acquired for a reference reaction, the oxidation of [Fe(CN)<sub>6</sub> ]<sup>4-</sup> at platinum electrodes as well as for a technically relevant reaction, the oxidation of VO<sub>2</sub><sup>+</sup> at carbon felt electrodes. Based on our calculation strategy, we provide a powerful open source tool for simulating and evaluating CV data implemented into a Python graphical user interface (GUI). Microelectrode ; Cyclic voltammetry ; Electrode ; Materials science ; Diffusion ; Laplace transform ; Solution of Schrödinger equation for a step potential ; Voltammetry ; Electrochemistry ; Analytical Chemistry (journal) ; Chemical engineering ; Biological system ; Nanotechnology ; Chemistry ; Thermodynamics ; Mathematics ; Physics ; Chromatography ; Physical chemistry ; Mathematical analysis Electrochemical Analysis and Applications ; Conducting polymers and applications ; Electrocatalysts for Energy Conversion
Authors: Xiaoyu Yuan | Chunyue Yin | Yuanyuan Zhang | Zengyue Chen | Yifan Xu | Jun Wang
Source: Scientific Reports (article, 2019-04-09)
Field: Chemistry — Inorganic Chemistry

Synthesis of C@Ni-Al LDH HSS for efficient U-entrapment from seawater In this paper, a double hollow spherical shell composite modified with layered double hydroxide (C@Ni-Al LDH HSS) was fabricated for uranium(VI) (U(VI)) adsorption. Various batch experiments were carried out to investigate the influence of pH, concentration, time and coexistence ion on extraction. The results showed that the adsorption processes of U(VI) onto C@Ni-Al LDH HSS were spontaneous and endothermic and closely followed pseudo-second-order and Langmuir isotherm models. The equilibrium time and maximum adsorption capacity of C@Ni-Al LDH HSS was 360 min and 545.9 mg g<sup>-1</sup>. FT-IR and XPS analyses proved that the adsorption behavior was primarily attributed to the strong interaction between oxygen-containing functional groups and U(VI). Moreover, the extraction of trace U(VI) (μg L<sup>-1</sup>) in artificial and natural seawater was also studied. The results showed that C@Ni-Al LDH HSS provided a promising application for the efficient extraction of U(VI) from seawater. Adsorption ; Seawater ; Hydroxide ; Extraction (chemistry) ; Langmuir adsorption model ; Endothermic process ; Chemistry ; Uranium ; Nuclear chemistry ; Chromatography ; Materials science ; Inorganic chemistry ; Metallurgy ; Physical chemistry ; Geology Radioactive element chemistry and processing ; Covalent Organic Framework Applications ; Layered Double Hydroxides Synthesis and Applications
Authors: Caio Vinícius Lima Natarelli | Pedro Ivo Cunha Claro | Kelvi Wilson Evaristo Miranda | Guilherme Max Dias Ferreira | Juliano Elvis de Oliveira | J. M. Marconcini
Source: SN Applied Sciences (article, 2019-09-13)
Field: Materials Science — Biomaterials

2,4-Dichlorophenoxyacetic acid adsorption on montmorillonite organoclay for controlled release applications Physisorption ; Montmorillonite ; Adsorption ; Sorption ; Chemistry ; Chemisorption ; Aqueous solution ; Organoclay ; Desorption ; Alachlor ; Exfoliation joint ; Chemical engineering ; Nuclear chemistry ; Graphene ; Organic chemistry Clay minerals and soil interactions ; Adsorption and biosorption for pollutant removal ; Iron oxide chemistry and applications
Authors: Mostafa Mabrouk | Sayed H. Kenawy | Gehan T. El‐Bassyouni | Ahmed A. F. Soliman | Esmat M. A. Hamzawy
Source: Advanced Pharmaceutical Bulletin (article, 2019-02-21)
Field: Materials Science — Biomaterials

Cancer Cells Treated by Clusters of Copper Oxide Doped Calcium Silicate <b><i>Purpose:</i></b> Different compositions of copper oxide (CuO)-doped calcium silicate clusters were used to treat the cancer cells. <b><i>Methods:</i></b> The influence of CuO content on the morphology, drug delivering ability, physicochemical properties and cytotoxicity was investigated. <b><i>Results:</i></b> The microcrystalline structure revealed the decrement of the size from (20-36 nm) to (5-7 nm) depending on the copper content percentages. Drug delivering ability of doxycycline hyclate (Dox) was down regulated from 58% to 28%in the presence of the CuO. The inclusion of CuO and Dox didn't show any remarkable changes on the physicochemical properties of the CuO-doped calcium silicate nanoparticles. <b><i>Conclusion:</i></b> The CuO-doped calcium silicate sample (5 weight %) exhibited great cytotoxicity against the tested cell lines compared to the CuO-free sample. CuO-doped materials displayed significant anticancer effect; this sheds light on its implication in the treatment of cancer. Calcium silicate ; Microcrystalline ; Calcium ; Copper ; Cytotoxicity ; Doping ; Silicate ; Materials science ; Nuclear chemistry ; Chemistry ; Chemical engineering ; Inorganic chemistry ; In vitro ; Metallurgy ; Biochemistry ; Crystallography ; Organic chemistry Nanoparticle-Based Drug Delivery ; Bone Tissue Engineering Materials ; Layered Double Hydroxides Synthesis and Applications
Authors: Vahid Niasar | Lynn S. Bennethum | Majid Sedighi | Matteo Icardi | Jacques M. Huyghe
Source: Transport in Porous Media (article, 2019-03-12)
Field: Chemistry — Physical and Theoretical Chemistry

Coupled Processes in Charged Porous Media: From Theory to Applications Charged porous media are pervasive, and modeling such systems is mathematically and computationally challenging due to the highly coupled hydrodynamic and electrochemical interactions caused by the presence of charged solid surfaces, ions in the fluid, and chemical reactions between the ions in the fluid and the solid surface. In addition to the microscopic physics, applied external potentials, such as hydrodynamic, electrical, and chemical potential gradients, control the macroscopic dynamics of the system. This paper aims to give fresh overview of modeling pore-scale and Darcy-scale coupled processes for different applications. At the microscale, fundamental microscopic concepts and corresponding mass and momentum balance equations for charged porous media are presented. Given the highly coupled nonlinear physiochemical processes in charged porous media as well as the huge discrepancy in length scales of these physiochemical phenomena versus the application, numerical simulation of these processes at the Darcy scale is even more challenging than the direct pore-scale simulation of multiphase flow in porous media. Thus, upscaling the microscopic processes up to the Darcy scale is essential and highly required for large-scale applications. Hence, we provide and discuss Darcy-scale porous medium theories obtained using the hybrid mixture theory and homogenization along with their corresponding assumptions. Then, application of these theoretical developments in clays, batteries, enhanced oil recovery, and biological systems is discussed. Microscale chemistry ; Porous medium ; Homogenization (climate) ; Fluid dynamics ; Multiphase flow ; Macroscopic scale ; Mechanics ; Darcy's law ; Transport phenomena ; Materials science ; Porosity ; Physics ; Mathematics Electrostatics and Colloid Interactions ; Geophysical and Geoelectrical Methods ; Nanopore and Nanochannel Transport Studies
Authors: Elham Rafiee Taqanaki | Reza Heidari | Mohammad Monfared | Lobat Tayebi | Amir Azadi | Fatemeh Farjadian
Source: International Journal of Nanomedicine (article, 2019-09-01)
Field: Materials Science — Biomaterials

&lt;p&gt;EDTA-modified mesoporous silica as supra adsorbent of copper ions with novel approach as an antidote agent in copper toxicity&lt;/p&gt; Structural evaluation showed successful formation of MS-EDTA. In vitro analysis demonstrated that supreme Cu adsorption occurs in both pH conditions (7.2 and 1.2), and was especially more favorable in simulated intestinal pH (7.2). The in vivo studies in animal models with acute Cu poisoning showed that MS-EDTA could be a potent antidote agent. Antidote ; Copper ; Mesoporous silica ; Toxicity ; Mesoporous material ; Chelation ; Adsorption ; Nuclear chemistry ; Ion ; Materials science ; Chemistry ; Inorganic chemistry ; Metallurgy ; Organic chemistry ; Catalysis Nanoparticle-Based Drug Delivery ; Adsorption and biosorption for pollutant removal ; Nanomaterials for catalytic reactions
Authors: Murillo L. Martins | Alexander B. Dinitzen | Eugene Mamontov | Svemir Rudić | José E. M. Pereira | Rasmus Hartmann‐Petersen | K. W. Herwig | Heloisa N. Bordallo
Source: Scientific Reports (article, 2019-06-18)
Field: Chemistry — Physical and Theoretical Chemistry

Water dynamics in MCF-7 breast cancer cells: a neutron scattering descriptive study Water mobility in cancer cells could be a powerful parameter to predict the progression or remission of tumors. In the present descriptive work, new insight into this concept was achieved by combining neutron scattering and thermal analyses. The results provide the first step to untangle the role played by water dynamics in breast cancer cells (MCF-7) after treatment with a chemotherapy drug. By thermal analyses, the cells were probed as micrometric reservoirs of bulk-like and confined water populations. Under this perspective we showed that the drug clearly alters the properties of the confined water. We have independently validated this idea by accessing the cellular water dynamics using inelastic neutron scattering. Finally, analysis of the quasi-elastic neutron scattering data allows us to hypothesize that, in this particular cell line, diffusion increases in the intracellular water in response to the action of the drug on the nanosecond timescale. MCF-7 ; Neutron scattering ; Scattering ; Cancer cell ; Biophysics ; Materials science ; Chemistry ; Chemical physics ; Physics ; Medicine ; Cancer ; Biology ; Internal medicine ; Optics ; Human breast thermodynamics and calorimetric analyses ; Field-Flow Fractionation Techniques ; Nuclear Physics and Applications
Authors: Jian-Fang Liu | Jincheng Mu | Rong-Xian Qin | Shengfu Ji
Source: Petroleum Science (article, 2019-06-18)
Field: Chemistry — Inorganic Chemistry

Pd nanoparticles immobilized on MIL-53(Al) as highly effective bifunctional catalysts for oxidation of liquid methanol to methyl formate A series of Pd/MIL-53(Al) heterogeneous bifunctional catalysts with different Pd contents were prepared by an impregnation method. The prepared metal–organic frameworks MIL-53(Al) and catalysts were characterized by XRD, SEM, HRTEM, FT-IR and N2 adsorption/desorption techniques. The results showed that MIL-53(Al) was synthesized successfully, and the structure was unchanged during and after the preparation of the catalysts. The Pd nanoparticles (NPs) with an average particle size of 4.6 nm were uniformly dispersed on the MIL-53(Al). The catalyst exhibited good catalytic activity in the selective oxidation of liquid methanol to methyl formate. Under the conditions of 150 °C, 2 MPa O2 and solvent-free for 5 h, the conversion of methanol could reach 60.3%, and the selectivity of methyl formate was up to 62.2%. In addition, the Pd/MIL-53(Al) bifunctional catalyst exhibited excellent stability and maintained high catalytic activity after five cycles. Bifunctional ; Catalysis ; Methanol ; Methyl formate ; Formate ; Bifunctional catalyst ; Selectivity ; Nanoparticle ; Adsorption ; Chemistry ; Inorganic chemistry ; Solvent ; High-resolution transmission electron microscopy ; Materials science ; Nuclear chemistry ; Chemical engineering ; Organic chemistry ; Nanotechnology ; Transmission electron microscopy Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions