jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Aref A. M. Aly | Mohamed Abdel Wahab | Sedky H.A. Hassan | Ibrahim Abd El-Ghany | Abeer Farrag
Source: Egyptian Sugar Journal (article, 2021-06-01)
Field: Chemistry — Analytical Chemistry

Utilization of Sugar Beet Industrial filter cake waste for removal of direct red 81 from aqueous solution A low cost adsorbent has been tested for its adsorption ability to remove a hazardous dye from textile wastewater. The paper assess the results pertaining to the investigation conducted on the removal of the azo sulfonated dye, direct red 81 by adsorption on the filter cake waste as adsorbent. Adsorption studies were carried out in batch mode to examine the influence of various parameters affecting the removal efficiency of the adsorbent. Isotherm data were found to fit well with the Frendlish adsorption mode. From the estimated mean adsorption energy of 3.8 kJmol-1 according to the D-R isotherm model and fitting with the pseudo second–order rate equation, we concluded that the adsorption process of the dye onto filter cake is a physical process with some contribution from chemical adsorption. Aqueous solution ; Sugar beet ; Filter cake ; Pulp and paper industry ; Chemistry ; Sugar ; Waste management ; Sugar industry ; Environmental science ; Agronomy ; Food science ; Chromatography ; Engineering ; Organic chemistry ; Biology Dye analysis and toxicity ; Water Quality Monitoring and Analysis
Authors: Donggun Eum | Byung‐Hoon Kim | Jun‐Hyuk Song | Hyeokjun Park | Sung Joo Kim | Sung‐Pyo Cho | Ho‐Young Jang | Myeong Hwan Lee | Jae Hoon Heo | Youngmin Ko | Sung Kwan Park | Kyungbae Oh | Dohoon Kim | Kisuk Kang
Source: Research Square (preprint, 2021-01-13)
Field: Materials Science — Polymers and Plastics

Coupling the structure evolution and the oxygen redox electrochemistry in layered transition metal oxides Transition metal ; Redox ; Electrochemistry ; Coupling (piping) ; Oxygen ; Chemical physics ; Oxygen evolution ; Metal ; Oxygen reduction ; Materials science ; Nanotechnology ; Chemistry ; Inorganic chemistry ; Metallurgy ; Catalysis ; Physical chemistry ; Electrode ; Organic chemistry Transition Metal Oxide Nanomaterials ; Advancements in Battery Materials ; Electronic and Structural Properties of Oxides
Authors: Johtaro Yamamoto | Akira Sasaki
Source: Applied Sciences (article, 2021-06-23)
Field: Chemistry — Analytical Chemistry

Measurement of the Concentration and the Brightness for Samples Containing Multiple Molecules with Different Brightness Using Fluorescence Correlation Spectroscopy In this study, the concentration and brightness measured by fluorescence correlation spectroscopy (FCS) in samples containing multiple species with different brightness levels was demonstrated. FCS measurements of such samples are generally difficult. However, the calculation we introduced here can provide the measurement results of the FCS. The effectiveness of the calculation was investigated based on simulations and experiments in the case of a mixture of fluorescent beads with known brightness and other fluorescent beads with unknown brightness. The results show that the concentration of the known brightness agrees well with the expected values. The obtained concentration and brightness of the species with unknown brightness is possible, and it worked well in the simulation; however, the accuracy for the species was lower than that of the species with known brightness. As a result, the calculation is useful in measuring the concentration of species with known brightness in samples containing undesired bright species, such as aggregation. The calculation for the species with unknown brightness may also be useful if good protocols or instruments are established in the future. Brightness ; Fluorescence ; Fluorescence correlation spectroscopy ; Surface brightness ; Spectroscopy ; Biological system ; Materials science ; Chemistry ; Analytical Chemistry (journal) ; Optics ; Physics ; Chromatography ; Astrophysics ; Biology ; Astronomy Spectroscopy and Chemometric Analyses ; Advanced Fluorescence Microscopy Techniques ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Rehman Saeed Ur | Adeel Muneer | Shamsul Qamar
Source: Thermal Science (article, 2021-05-11)
Field: Chemistry — Spectroscopy

Analysis of equilibrium dispersive model of liquid chromatography considering a quadratic-type adsorption isotherm A single-component equilibrium dispersive model of liquid chromatography is solved analytically for a quadratic-type adsorption isotherm. The consideration of quadratic isotherm leads to a non-linear advection-diffusion PDE that hinders the derivation of analytical solution. To over come this difficulty, the Hopf-Cole and exponential transformation techniques are applied one after another to convert the given advection-diffusion PDE to a second order linear diffusion equation. These transformations are applied under the assumption of small non-linearity, or small volumes of injected concentrations, or both. Afterwards, the Fourier transform technique is applied to obtain the analytical solution of the resulting linear diffusion equation. For detailed analysis of the process, numerical temporal moments are obtained from the actual time domain solution. These moments are useful to observe the effects of transport parameters on the shape, height and spreading of the elution peak. A second-order accurate, high resolution semi-discrete finite volume scheme is also utilized to approximate the same model for non-linear Langmuir isotherms. Analytical and numerical results are compared for different case studies to gain knowledge about the ranges of kinetic parameters for which our analytical results are applicable. The effects of various parameters on the mechanism are analyzed under typical operating conditions available in the liquid chromatography literature. Diffusion ; Quadratic equation ; Exponential function ; Diffusion equation ; Thermodynamics ; Applied mathematics ; Mathematical analysis ; Mathematics ; Physics ; Geometry Analytical Chemistry and Chromatography ; Protein purification and stability ; Microfluidic and Capillary Electrophoresis Applications
Authors: Redmar C. Vlieg | John van Noort
Source: The Journal of Chemical Physics (article, 2021-12-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multiplexed two-photon excitation spectroscopy of single gold nanorods Plasmonic metallic nanoparticles are commonly used in (bio-)sensing applications because their localized surface plasmon resonance is highly sensitive to changes in the environment. Although optical detection of scattered light from single particles provides a straightforward means of detection, the two-photon luminescence (TPL) of single gold nanorods (GNRs) has the potential to increase the sensitivity due to the large anti-Stokes shift and the non-linear excitation mechanism. However, two-photon microscopy and spectroscopy are restricted in bandwidth and have been limited by the thermal stability of GNRs. Here, we used a scanning multi-focal microscope to simultaneously measure the two-photon excitation spectra of hundreds of individual GNRs with sub-nanometer accuracy. By keeping the excitation power under the melting threshold, we show that GNRs were stable in intensity and spectrum for more than 30 min, demonstrating the absence of thermal reshaping. Spectra featured a signal-to-noise ratio of >10 and a plasmon peak width of typically 30 nm. Changes in the refractive index of the medium of less than 0.04, corresponding to a change in surface plasmon resonance of 8 nm, could be readily measured and over longer periods. We used this enhanced spectral sensitivity to measure the presence of neutravidin, exploring the potential of TPL spectroscopy of single GNRs for enhanced plasmonic sensing. Nanorod ; Plasmon ; Materials science ; Surface plasmon resonance ; Spectroscopy ; Optics ; Optoelectronics ; Excitation ; Microscopy ; Nanoparticle ; Nanotechnology ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: M. Aurangzeib | Shahid Hussain | Abdur Rehim | Muhammad Adil Bashir | Hafiz Muhammad Ali Raza
Source: Pakistan Journal of Agriculture Agricultural Engineering and Veterinary Sciences (article, 2021-12-20)
Field: Materials Science — Biomaterials

EXTRACTION METHODS AND ADSORPTION KINETICS OF POTASSIUM IN CALCAREOUS SOILS OF MULTAN Understanding the dynamics of potassium (K) and its availability is fundamental in its efficient use as an important nutrient. The objectives of present study were to compare standard K extraction methods for extractable K and kinetics of K adsorption on five different textured soils. The soils were analyzed for physico-chemical properties, extractable K contents and kinetics of K adsorption. The soils had variable contents of soluble (8-52mg kg-1), exchangeable (13-215mg kg-1), fixed (488-1836mg kg-1), structural (2936-26362mg kg-1) and total K (3438-28517mg kg-1). Except soluble K, the amount of K in different forms was significantly (P?0.05) correlated with clay contents, electrical conductivity (EC), cation exchange capacity (CEC) and calcium carbonate in soils. Different methods variated the extracted K in different textured soils. Mehlich-III, ammonium acetate, AB-DTPA, and calcium chloride extracted K was maximum in sandy clay loam (298mg kg-1, 267mg kg?1, 226mg kg-1, and 113mg kg-1) and lowest was in loamy sand (33mg kg-1, 24mg kg-1, 30mg kg-1, and 24mg kg-1) respectively. Elovich and power function models best explained the K kinetics adsorption, as rate of adsorption constants were negatively correlated with sand contents in the soil type. Pearson correlation showed that the extractability of K by different methods and kinetics of K adsorption were dependent on soil texture EC, CEC and calcium carbonate contents. Hence, soil physico-chemical properties should be considered in recommending rate of K fertilization along with crop K demand and soil extractable K. Chemistry ; Loam ; Soil water ; Adsorption ; Cation-exchange capacity ; Calcareous ; Extraction (chemistry) ; Potassium ; Kinetics ; Soil texture ; Mineralogy ; Environmental chemistry ; Soil science ; Botany ; Chromatography ; Geology ; Organic chemistry Clay minerals and soil interactions ; Agricultural Science and Fertilization
Authors: Erik Hartman | Simon Mahdavi | Sven Kjellström | Artur Schmidtchen
Source: Frontiers in Bioinformatics (article, 2021-08-25)
Field: Chemistry — Spectroscopy

Peptimetric: Quantifying and Visualizing Differences in Peptidomic Data Finding new sustainable means of diagnosing and treating diseases is one of the most pressing issues of our time. In recent years, several endogenous peptides have been found to be both excellent biomarkers for many diseases and to possess important physiological roles which may be utilized in treatments. The detection of peptides has been facilitated by the rapid development of biological mass spectrometry and now the combination of fast and sensitive high resolution MS instruments and stable nano HP-LC equipment sequences thousands of peptides in one single experiment. In most research conducted with these advanced systems, proteolytically cleaved proteins are analyzed and the specific peptides are identified by software dedicated for protein quantification using different proteomics workflows. Analysis of endogenous peptides with peptidomics workflows also benefit from the novel sensitive and advanced instrumentation, however, the generated peptidomic data is vast and subsequently laborious to visualize and examine, creating a bottleneck in the analysis. Therefore, we have created Peptimetric, an application designed to allow researchers to investigate and discover differences between peptidomic samples. Peptimetric allows the user to dynamically and interactively investigate the proteins, peptides, and some general characteristics of multiple samples, and is available as a web application at https://peptimetric.herokuapp.com. To illustrate the utility of Peptimetric, we've applied it to a peptidomic dataset of 15 urine samples from diabetic patients and corresponding data from healthy subjects. Workflow ; Bottleneck ; Computer science ; Computational biology ; Proteomics ; Software ; Instrumentation (computer programming) ; Data mining ; Bioinformatics ; Data science ; Biology ; Database ; Embedded system Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Enzo Mangano | Stefano Brandani
Source: Brazilian Journal of Chemical Engineering (article, 2021-09-24)
Field: Chemistry — Inorganic Chemistry

Analysis of CO2 kinetics in Na,Cs-Rho crystals using the zero length column: a case study for slow systems Abstract Experimental measurements of systems with slow gas transport kinetics are generally considered a relatively easier task when compared to the challenges of measurements of very fast systems. On the other hand, when the transport process goes towards time constants of the order of several hours, not only the measurements, but also the analysis and interpretation of the data offer challenges which make the assessment of the correct time constant of the process non trivial. In this work we used the measurements of CO 2 diffusion in Na,Cs-Rho crystals, carried out using the zero length column (ZLC) technique, as a case study for the use of the technique for very slow adsorption processes. The system, which has a time constant of the order of 8 h, shows the importance of using the partial loading approach for the determination of an unambiguous time constant from the analysis of the ZLC desorption curves. The traditional analysis is refined by using the nonlinear ZLC model to take into account the isotherm nonlinearity that results in a concentration dependent diffusivity. Finally, the method proposed by Cavalcante is used to confirm the 3-D diffusion path of the system. Thermal diffusivity ; Diffusion ; Constant (computer programming) ; Thermodynamics ; Desorption ; Work (physics) ; Zero order ; Kinetics ; Time constant ; Chemistry ; Nonlinear system ; Fick's laws of diffusion ; Analytical Chemistry (journal) ; Adsorption ; Materials science ; Mathematics ; Chromatography ; Physics ; Physical chemistry ; Applied mathematics ; Computer science ; First order ; Engineering ; Classical mechanics Zeolite Catalysis and Synthesis ; Advanced Thermoelectric Materials and Devices ; Advanced Chemical Physics Studies
Authors: Dmytro Breslavsky
Source: Bulletin of the National Technical University «KhPI» Series Dynamics and Strength of Machines (article, 2021-12-31)
Field: Materials Science — Materials Chemistry

Influence of stresses on deformation process under the irradiation creep and swelling Approaches for describing the deformation of structural elements made from the material, in which radiation creep and swelling strains develop simultaneously, are discussed. The technique for description of irradiation swelling strains, which is used for calculational analysis of stress-strain state arising in structural elements under the joint action of irradiation and thermal-stress fields, is regarded. A complete system of equations of the boundary –initial value problem is presented, in which elastic and thermal strains, strains of radiation creep and swelling are taken into account. Numerical modelling was carried out using the specialized software FEM Creep, in which the boundary value problem is solved by the Finite Element Method, and the initial one is integrated in time by the difference predictor-corrector method. Two forms are given for the equation of state describing the radiation swelling strains: first is for the components of the strain tensor as well as second is prepared for their rates. The hypothesis about the linear correspondence of the received radiation dose and the deformation time, during which radiation swelling strains develop, are analyzed. A number of questions that require answers when using equations with a complex stress state in which the radiation swelling strains are directly depend on stresses, are discussed. Based on the processing of experimental data on the swelling of tubes made of steel 316Ti in the temperature range of 450-460 °С, a form of the equation for the radiation swelling strain rate is proposed, and the constants included in it are determined. Using the example of numerical modelling of the deformation of tubes were made of steel 316Ti and loaded by inner pressure, the applicability of the classical approach for the analysis of the stress-strain state in the presence of radiation swelling strains is shown. Swelling ; Creep ; Materials science ; Stress (linguistics) ; Deformation (meteorology) ; Finite element method ; Irradiation ; Mechanics ; Boundary value problem ; Infinitesimal strain theory ; Stress–strain curve ; Composite material ; Structural engineering ; Mathematics ; Physics ; Mathematical analysis ; Engineering Material Properties and Failure Mechanisms ; Material Properties and Applications
Authors: V. A. Shepelev | Technomash CSRTI | А. А. Алтухов | А. С. Сигов | В. С. Фещенко
Source: Problems of advanced micro- and nanoelectronic systems development (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Investigation of physical processes in diamond UV radiation sensors based on spectral and current-voltage characteristics Current (fluid) ; Diamond ; Optoelectronics ; Radiation ; Materials science ; Voltage ; Engineering physics ; Electrical engineering ; Optics ; Physics ; Engineering ; Composite material Diamond and Carbon-based Materials Research ; Analytical Chemistry and Sensors ; Laser-Ablation Synthesis of Nanoparticles
Authors: N. A. Poklonski | I. I. Anikeev | С. А. Вырко
Source: Devices and Methods of Measurements (article, 2021-10-15)
Field: Materials Science — Materials Chemistry

Low-Frequency Admittance of Capacitor with Working Substance “Insulator–Partially Disordered Semiconductor– Insulator” The study of the electrophysical characteristics of crystalline semiconductors with structural defects is of practical interest in the development of radiation-resistant varactors. The capacitance-voltage characteristics of a disordered semiconductor can be used to determine the concentration of point defects in its crystal matrix. The purpose of this work is to calculate the low-frequency admittance of a capacitor with the working substance “insulator–crystalline semiconductor with point t -defects in charge states (−1), (0) and (+1)–insulator”. A layer of a partially disordered semiconductor with a thickness of 150 μm is separated from the metal plates of the capacitor by insulating layers of polyimide with a thickness of 3 μm. The partially disordered semiconductor of the working substance of the capacitor can be, for example, a highly defective crystalline silicon containing point t -defects randomly (Poissonian) distributed over the crystal in charge states (−1), (0), and (+1), between which single electrons migrate in a hopping manner. It is assumed that the electron hops occur only from t -defects in the charge state (−1) to t -defects in the charge state (0) and from t -defects in the charge state (0) to t -defects in the charge state (+1). In this work, for the first time, the averaging of the hopping diffusion coefficients over all probable electron hopping lengths via t -defects in the charge states (−1), (0) and (0), (+1) in the covalent crystal matrix was carried out. For such an element, the low-frequency admittance and phase shift angle between current and voltage as the functions on the voltage applied to the capacitor electrodes were calculated at the t -defect concentration of 3∙10 19 cm −3 for temperatures of 250, 300, and 350 K and at temperature of 300 K for the t -defect concentrations of 1∙10 19 , 3∙10 19 , and 1∙10 20 cm −3 . Materials science ; Semiconductor ; Condensed matter physics ; Capacitor ; Insulator (electricity) ; Capacitance ; Charge carrier ; Electron ; Optoelectronics ; Voltage ; Electrical engineering ; Physics ; Electrode Solid-state spectroscopy and crystallography ; Advanced Energy Technologies and Civil Engineering Innovations ; Semiconductor materials and interfaces
Authors: M. Marvi-Mashhadi | Wahaaj Ali | Muzi Li | Carlos González | Javier LLorca
Source: arXiv (Cornell University) (preprint, 2021-10-02)
Field: Materials Science — Biomaterials

Simulation of corrosion and mechanical degradation of additively\n manufactured Mg scaffolds in simulated body fluid A simulation strategy based in the finite element model was developed to\nmodel the corrosion and mechanical properties of biodegradable Mg scaffolds\nmanufactured by laser power bed fusion after immersion in simulated body fluid.\nCorrosion was simulated through a phenomenological, diffusion-based model which\ncan take into account pitting. The elements in which the concentration of Mg\nwas below a certain threshold (representative of the formation of Mg(OH)2)\nafter the corrosion simulation were deleted for the mechanical simulations, in\nwhich Mg was assumed to behave as an isotropic, elastic-perfectly plastic solid\nand fracture was introduced through a ductile failure model. The parameters of\nthe models were obtained from previous experimental results and the numerical\npredictions of the strength and fracture mechanisms of WE43 Mg alloy porous\nscaffolds in the as-printed condition and after immersion in simulated body\nfluid were in good agreement with the experimental results. Thus, the\nsimulation strategy is able to assess the effect of corrosion on the mechanical\nbehavior of biodegradable scaffolds, which is critical for design of\nbiodegradable scaffolds for biomedical applications.\n Simulated body fluid ; Materials science ; Corrosion ; Immersion (mathematics) ; Alloy ; Porosity ; Isotropy ; Composite material ; Finite element method ; Fusion ; Pitting corrosion ; Structural engineering ; Scanning electron microscope ; Engineering Magnesium Alloys: Properties and Applications ; Additive Manufacturing Materials and Processes ; Aluminum Alloys Composites Properties
Authors: Makoto Oya | Yuki Hara | Kazunari Katayama | K. Ohya
Source: Plasma and Fusion Research (article, 2021-05-07)
Field: Materials Science — Materials Chemistry

Simulation of Experimental Deuterium Retention in Tungsten under Periodic Deuterium Plasma Irradiation To study the effect of periodic plasma irradiation on deuterium (D) retention in tungsten (W), an irradiation experiment with low-energy (50 eV) and high-flux (∼1022 m−2 s−1) ions was simulated through the coupling with collision and diffusion processes of injected D atoms. The irradiation was interrupted over one and two time intervals until the total fluence reached 1026 Dm−2, in order to compare with the continuous irradiation case. The time evolution of the D atoms retained in W was calculated using the observed time variation of the material temperature and the irradiation sequences used in the experiments. After the periodic irradiation, the thermal desorption spectroscopy spectra were calculated, and the retention properties (depths, D/W ratios, and detrapping energies of the trapping sites) were estimated through comparison with the experimental spectra. At a temperature of 573 K, the irradiation with one interruption interval was found to increase the depth of the trapped D atoms and reduce the D/W ratio of the trapping sites with a low detrapping energy, compared with the continuous irradiation case. However, at 643 K, the depth was found to be decreased, and the D/W ratio of the trapping sites with a high detrapping energy was slightly increased; thus, the total retention was also slightly increased. Irradiation ; Tungsten ; Fluence ; Deuterium ; Materials science ; Ion ; Trapping ; Atomic physics ; Analytical Chemistry (journal) ; Plasma ; Diffusion ; Spectral line ; Desorption ; Thermal desorption spectroscopy ; Chemistry ; Nuclear physics ; Physics ; Thermodynamics ; Adsorption Fusion materials and technologies ; Nuclear Materials and Properties ; Ion-surface interactions and analysis