jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sneha Nayak | Louella Concepta Goveas | Shyama Prasad Sajankila
Source: Biotechnology for Sustainable Materials (article, 2024-11-18)
Field: Chemistry — Organic Chemistry

Exploring the efficacy of Pongamia pinnata-induced silver nanoflowers for efficient adsorptive degradation of malachite green dye In this study, silver nanoflowers were synthesized due to catalytic reduction of silver ions by phytochemicals of Pongamia pinnata seed cake extract (PSCAgNPs) in 24 h and subsequently used for removal of malachite green (MLG) dye. PSCAgNPs were characterized by UV–Visible spectrophotometry, scanning electron microscopy (SEM), energy-dispersive X ray spectroscopy (EDAX), Fourier Transformed Infrared Spectroscopy (FT-IR), X-Ray Diffraction (XRD) and BET analysis. The synthesized PSCAgNPs were floral in appearance, of size 18.82—23.70 nm with SPR at 430 nm and crystalline in nature. PSCAgNPs adsorbed 90.01 ± 0.17% of 50 mg/L MLG post one factor at a time analysis. Adsorption followed pseudo-second-order kinetics (k1 = 2.5E-03 g/mg.h), was observed as unilayer chemisorption as the equilibrium data best fitted Langmuir isotherm (Langmuir coefficient = 0.1724 L/mg, R2 = 0.9945). Upon interaction of MLG by PSCAgNPs, hydroxylation of MLG leads to formation of MLG carbinol in the first stage of adsorptive degradation, as evident from LCMS chromatograms. Malachite green ; Pongamia ; Degradation (telecommunications) ; Chemistry ; Nuclear chemistry ; Pulp and paper industry ; Biochemistry ; Adsorption ; Computer science ; Organic chemistry ; Catalysis Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Yuhao Wen | Mingyang Hou | Xingkai Hao | Dani Sun | Han Zhang | Farooq Saqib | Wenhui Lü | Huitao Liu | Lingxin Chen | Jinhua Li
Source: Polymers (article, 2024-11-01)
Field: Chemistry — Analytical Chemistry

Dual-Template Molecularly Imprinted Polymers for Dispersive Solid-Phase Extraction Combined with High Performance Liquid Chromatography for the Determination of Sulfonamide Antibiotics in Environmental Water Samples In this study, we designed a molecularly imprinted polymers-dispersive solid-phase extraction-high-performance liquid chromatography (MIPs-DSPE-HPLC) method, as a simple and efficient platform for the sensitive detection of two sulfonamide antibiotics (SAs) of sulfamethoxine (SMM) and sulfamethoxazole (SMZ) in environmental water samples. Using SMM and SMZ as templates, methacrylic acid as the functional monomer, ethylene glycol dimethacrylate as the crosslinking agent, and azodiisobutyronitrile as the catalyst, the dual-template molecularly imprinted polymers (dt-MIPs) were successfully synthesized via surface imprinting technology and multi-template imprinting strategy. The adsorption properties of the prepared MIPs were characterized, and the adsorption capacities of MIPs towards SMZ and SMM were 27.35 mg/g and 30.92 mg/g, respectively. The detection limits of the method in three environmental water samples were in the range of 0.23-1.74 μg/L, and the recoveries were between 82.7 and 110.3%, with relative standard deviations less than 5.93%. The construction process of this MIPs-DSPE-HPLC method is straightforward, exhibits high sensitivity and selectivity, and thus provides a versatile method for the quantification of SAs in complex matrices. Molecularly imprinted polymer ; Solid phase extraction ; Sulfonamide ; Chromatography ; Extraction (chemistry) ; Materials science ; Chemistry ; Organic chemistry ; Catalysis ; Selectivity Analytical chemistry methods development ; Pharmaceutical and Antibiotic Environmental Impacts ; Analytical Chemistry and Chromatography
Authors: Yanela Martínez‐Tenorio | Nelly Ramírez‐Corona | María Teresa Jiménez‐Munguía | Aurelio López‐Malo | Emma Mani‐López
Source: Packaging Technology and Science (article, 2024-04-23)
Field: Materials Science — Biomaterials

Development of Antifungal Packaging From Low‐Density Polyethylene With Essential Oil of Oregano and Potassium Sorbate ABSTRACT Antimicrobial low‐density polyethylene (LDPE) films were developed by adding 0%, 0.5%, 1.0%, 2.5% and 5.0% (w/w) of Mexican oregano essential oil (OEO) or potassium sorbate (PS) as a positive antifungal control to inhibit the growth of Penicillium expansum , Penicillium citrinum and Aspergillus niger in vitro. Three methods of adding OEO in LDPE were evaluated; the best OEO yield in film was achieved when OEO was incorporated after laminating (88%); otherwise, when added into cool‐melting resin, OEO lost up to 91.5% from LDPE and completely volatilized (&gt;99%) when combined with the resin before melting. PS yields in LDPE film were &gt; 88% when incorporated into cool‐melted resin. Antimicrobial films with 2.5% or 5.0% (w/w) OEO or PS delayed the growth of P. expansum and P. citrinum for up to 4–5 days, and for A. niger , only films with 5.0% of OEO retarded its growth for 5 days. The modified Gompertz model was used to describe mould growth response, obtaining the parameters A (maximum growth), μm (maximum growth rate) and λ (lag phase), which correctly fit the data. P . citrinum was the most sensitive mould, and A. niger was the most resistant to the tested antimicrobials. The addition of antimicrobial agents significantly ( p &lt; 0.05) impacted the physical and mechanical properties of the LDPE films, wherein thickness and puncture strength were increased, and the colour changed (reducing the transparency and promoting the yellowness). In contrast, the water vapour transmission rate was dropped only by incorporating PS. Low-density polyethylene ; Potassium sorbate ; Penicillium citrinum ; Penicillium expansum ; Aspergillus niger ; Food science ; Materials science ; Polyethylene ; Antimicrobial ; Bacterial growth ; Chemistry ; Horticulture ; Composite material ; Biology ; Organic chemistry Nanocomposite Films for Food Packaging ; Essential Oils and Antimicrobial Activity ; Postharvest Quality and Shelf Life Management
Authors: Letizia Ferbel | Stefano Veronesi | Ylea Vlamidis | Antonio Rossi | Leonardo Sabattini | Camilla Coletti | Stefan Heun
Source: FlatChem (article, 2024-04-19)
Field: Materials Science — Materials Chemistry

Platinum-decorated graphene: Experimental insight into growth mechanisms and hydrogen adsorption properties Pt-functionalized graphene shows promise for near-ambient hydrogen storage due to graphene’s potential as a hydrogen host and platinum’s role as a catalyst for the hydrogen evolution reaction and spillover effect. This study explores Pt cluster formation on epitaxial graphene and its suitability for hydrogen storage. Scanning Tunneling Microscopy reveals two growth pathways. Initially, up to ∼1 ML of Pt coverage, Pt tends to randomly disperse and cover the graphene surface, whereas the cluster height remains unchanged. Beyond a coverage of 3 ML, the nucleation of new layers on existing clusters becomes predominant, the clusters mainly grow in height. Thermal Desorption Spectroscopy on hydrogenated Pt-decorated graphene reveals the presence of multiple hydrogen adsorption mechanisms. Two Gaussian peaks which we attribute to hydrogen physisorbed (peak at 155°C) and chemisorbed (peak at 430°C) on the surface of Pt clusters, superimoposed on a linearly increasing background assigned to hydrogen bonded in the bulk of the Pt clusters. These measurements demonstrate the ability of Pt-functionalized graphene to store molecular hydrogen at temperatures that are high enough for stable hydrogen binding at room temperature. Graphene ; Materials science ; Hydrogen ; Platinum ; Nucleation ; Hydrogen spillover ; Adsorption ; Catalysis ; Chemical physics ; Scanning tunneling microscope ; Hydrogen storage ; Chemical engineering ; Nanotechnology ; Physical chemistry ; Metal ; Chemistry ; Organic chemistry Hydrogen Storage and Materials ; Graphene research and applications ; Advancements in Battery Materials
Authors: Vladislav Stroganov | Tabata Nöthel | Daniel Hüger | Monika Kruk | Christof Neumann | Krzysztof Kozieł | Piotr Cyganik | Andrey Turchanin
Source: Small (article, 2024-10-04)
Field: Materials Science — Materials Chemistry

Tailored Permeation Through ≈1 nm Thick Carbon Nanomembranes by Subtle Changes in Their Molecular Design Due to their nanoscale thickness (≈1 nm) and exceptional selectivity for permeation of gases, nanomembranes made of 2D materials possess high potential for energy-efficient nanofiltration applications. In this respect, organic carbon nanomembranes (CNMs), synthesized via electron irradiation-induced crosslinking of aromatic self-assembled monolayers (SAMs), are particularly attractive, as their structure can be flexibly tuned by choice of molecular precursors. However, tailored permeation of CNMs, defined by their molecular design, has not been yet demonstrated. In this work, it is shown that the permeation of helium (He), deuterium (D<sub>2</sub>) and heavy water (D<sub>2</sub>O) for CNMs synthesized from biphenyl-based SAMs on silver (C<sub>6</sub>H<sub>5</sub>-C<sub>6</sub>H<sub>4</sub>-(CH<sub>2</sub>)<sub>n</sub>-COO/Ag, n = 2-6) can be tuned by orders of magnitude by changing the structure of the molecular precursors by just a single methylene unit. The selectivity in permeation of D<sub>2</sub>O/D<sub>2</sub> with an unprecedented value of 200 000 can be achieved in this way. The temperature-dependent study reveals a clear correlation between the molecular design and the permeation mechanisms facilitating therewith tailored synthesis of molecular 2D materials for separation technologies. Permeation ; Materials science ; Monolayer ; Selectivity ; Chemical engineering ; Carbon fibers ; Molecular dynamics ; Nanotechnology ; Membrane ; Chemistry ; Organic chemistry ; Computational chemistry ; Composite material Graphene research and applications ; Membrane Separation and Gas Transport ; Nanopore and Nanochannel Transport Studies
Authors: L.G. LeSage | Christophe Le Bourlot | Éric Maire | Takeshi Wada | Hidemi Kato | Wolfgang Ludwig | Nicolas Mary | Pierre-Antoine Geslin
Source: Materialia (article, 2024-07-09)
Field: Materials Science — Materials Chemistry

Exploring equilibrium conditions in liquid metal dealloying of powders by in situ synchrotron X-ray diffraction Liquid metal dealloying is a recently developed method to elaborate micro and nano-porous materials. It consists of the selective dissolution of an alloying element from a precursor alloy by immersing it in a liquid metal bath. In this paper, we monitor the dealloying reaction of Invar (Fe 65 Ni 35 ) powders in liquid Mg using in situ synchrotron X-ray diffraction. Rietveld refinement of the diffraction spectra enables quantifying the evolution of different crystalline phases throughout the process, thereby gaining new insights into the kinetics, phase equilibria, and the role of intermetallics on the reaction. These results are systematically compared to post mortem observations of dealloyed samples, showing a good agreement between both techniques. In particular, we show that adjusting the thermodynamic conditions of the reaction (temperature, FeNi/Mg ratio) enables to tailor the microstructure of the dealloyed powders, by modifying the dealloyed fraction to achieve core–shell structures, and altering the composition of ligaments. Materials science ; Synchrotron ; In situ ; Diffraction ; Metal ; X-ray crystallography ; X-ray ; Liquid metal ; Metallurgy ; Crystallography ; Optics Nanoporous metals and alloys ; Nanomaterials for catalytic reactions
Authors: H. I. ABDEL ASIM | Hani Zeidan | Mustafa Esen Martı
Source: RSC Advances (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Effective isolation of succinic acid from aqueous media with the use of anion exchange resins The primary objective of this study was to examine the isolation of succinic acid (SA) from aqueous-based solutions through the utilization of adsorption and ion exchange methods. Four kinds of anion exchange resins were employed, two of which were strong basic (Lewatit M-500 and Lewatit M-600), and the other two were weak basic (Lewatit MP-64 and Lewatit MP-62). The impacts of various variables on the efficiency of the process were examined. The aqueous pH strongly influenced the separation yield. Weak basic exchangers achieved the maximum yield at pH 2.1. However, the highest performance with Lewatit M-600 and Lewatit M-500 was obtained at pH 5 and 6, respectively. The SA separation with the tested resins reached equilibrium in about an hour. The recovery data revealed consistency with the Langmuir isotherm and pseudo-second-order kinetics. Efficiency improved with resin dosage and reduced with SA concentration. It was found that weak basic anion exchange resins were more efficient than strong basic exchangers for the recovery process. Among the resins tested, Lewatit MP-62 demonstrated the highest sorption capacity of 321 mg g<sup>-1</sup> and 97.5% yield. The performance of the system decreased with temperature for all alternatives tested; however, its impact was not notable. The isolation process had an exergonic, exothermic, and favorable character based on the thermodynamic constants. Acid-loaded resins were successfully regenerated using trimethylamine and HCl for weak and strong anion exchange resins, respectively. Succinic acid ; Chemistry ; Aqueous medium ; Ion-exchange resin ; Aqueous solution ; Isolation (microbiology) ; Ion exchange ; Ion ; Organic chemistry ; Combinatorial chemistry ; Microbiology ; Biology Analytical Chemistry and Chromatography ; Chemical Synthesis and Characterization ; Extraction and Separation Processes
Authors: Raonaqul Islam | Ishraq Md Anjum | Curtis R. Menyuk | Ergün Şimşek
Source: Scientific Reports (article, 2024-07-03)
Field: Materials Science — Materials Chemistry

Study of an $${\hbox {MoS}}_{2}$$ phototransistor using a compact numerical method enabling detailed analysis of 2D material phototransistors Research on two-dimensional material-based phototransistors has recently become a topic of great interest. However, the high number of design features, which impact the performance of these devices, and the multi-physical nature of the device operation make the accurate analysis of these devices a challenge. Here, we present a simple yet effective numerical framework to overcome this challenge. The one-dimensional framework is constructed on the drift-diffusion equations, Poisson's equation, and wave propagation in multi-layered medium formalism. We apply this framework to study phototransistors made from monolayer molybdenum disulfide ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mtext>MoS</mml:mtext> <mml:mn>2</mml:mn></mml:msub> </mml:math> ) placed on top of a back-gated silicon-oxide-coated silicon substrate. Numerical results, which show good agreement with the experimental results found in the literature, emphasize the necessity of including the inhomogeneous background for accurately calculating device metrics such as quantum efficiency and bandwidth. For the first time in literature, we calculate the phase noise of these phototransistors, which is a crucial performance metric for many applications where precise timing and synchronization are critical. We determine that applying a low drain-to-source voltage is the key requirement for low phase noise. Computer science ; Photodiode ; Algorithm ; Optoelectronics ; Materials science 2D Materials and Applications ; Thermal properties of materials ; Thermal Radiation and Cooling Technologies
Authors: Teruyoshi Kanno | Arisa Sakatani | Hiroki Kurita | Fumio Narita
Source: Journal of the American Ceramic Society (article, 2024-07-23)
Field: Materials Science — Ceramics and Composites

Prediction of internal stress in alumina laminates induced by shrinkage mismatch based on elastic model modification Abstract Cracks induced by internal stresses compromise the structural integrity of ceramic laminates. Such stresses can be classified into thermal stress derived from thermal expansion mismatch and shrinkage stress derived from shrinkage mismatch. Analytical models have been proposed for the former, whereas only numerical predictions have been explored for the latter. In this study, an equation is constructed to predict the shrinkage stress by modifying an elastic solution proposed in previous studies. We fabricated laminates with three‐layer sandwiched structures using only alumina specimens with high and low densities to control the shrinkage and avoid thermal mismatch. Surface cracks were initiated when the shrinkage stress exceeded the flexural strength of the surface layer. Although the original strength of the surface layer was 308.8 MPa, the laminates’ flexural strength was lower than that because of shrinkage constraint. Our results demonstrate that the shrinkage stress was successfully estimated analytically using a few material properties measured in an ordinary environment. This study will ensure the structural integrity of ceramic laminates in laminate designs. Shrinkage ; Materials science ; Composite material ; Flexural strength ; Stress (linguistics) ; Ceramic ; Thermal expansion ; Thermal ; Layer (electronics) Advanced ceramic materials synthesis ; Mechanical Behavior of Composites ; Epoxy Resin Curing Processes
Authors: Rebecca Grün | Atheer Saad Hashim | Constantino Grau Turuelo | Cornelia Breitkopf
Source: Chemistry - Methods (article, 2024-08-15)
Field: Chemistry — Inorganic Chemistry

Insights into CO<sub>2</sub> Diffusion on Zeolite 13X via Frequency Response Technique Abstract Zeolite 13X is an excellent candidate for the capture of CO 2 . However, this system needs to be investigated in more detail with regard to adsorption and diffusion. For this purpose, frequency response (FR) measurements were carried out with binderless zeolite 13X (NaMSX) and CO 2 . The size of the particles and the sample amount were modified in order to investigate their effects on diffusion processes. Macropore diffusion was detected and the corresponding diffusion coefficients were determined. The mentioned system was additionally used to evaluate the performance of the in‐house FR apparatus. Zeolite ; Diffusion ; Materials science ; Chemical engineering ; Chemistry ; Thermodynamics ; Physics ; Organic chemistry ; Catalysis ; Engineering Zeolite Catalysis and Synthesis ; Carbon Dioxide Capture Technologies ; Phase Equilibria and Thermodynamics
Authors: Zhiming Dai | Kai Li | Zhenhua Wang | Tingting Wang | Wei Liu | Zhidong Zhang
Source: Journal of Physics D Applied Physics (article, 2024-04-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Grain boundary diffusion mechanism in Dy-diffused Nd–Fe–B sintered magnets Abstract Grain boundary diffusion (GBD) is an effective method to enhance the thermal stability of Nd–Fe–B based permanent magnets. When developing a high-performance magnet, it is essential to carry out a study on its mechanisms, in order to reveal the distribution regulation of diffusion solutes and microstructural evolution. In the present work, the phase-field method is applied to investigate the thermodynamic features and the heavy rare-earth Dy migration in a Dy-diffused Nd–Fe–B magnet during the GBD process. In the simulation process, the grain phase transformation and volume diffusion were taken into consideration and the effects of the diffusion mode, initial diffusion source concentration, grain size, and grain boundary (GB) width were explored in a set of magnet models with various grain sizes. An optimized fitting function was introduced to evaluate the solute distribution in grain boundaries and the effective diffusion coefficient. It is shown that the diffusion mode and the GB width have significant impacts on the effective diffusion coefficient. The results provide a theoretical scheme concerning the quantitative evaluation of GBD efficiency based on thermodynamic analysis. Grain boundary diffusion coefficient ; Materials science ; Effective diffusion coefficient ; Diffusion ; Grain boundary ; Magnet ; Grain size ; Grain growth ; Diffusion process ; Phase (matter) ; Thermodynamics ; Microstructure ; Metallurgy ; Chemistry ; Mechanical engineering ; Physics Magnetic Properties of Alloys ; Magnetic Properties and Applications ; Metallic Glasses and Amorphous Alloys
Authors: Malik A. Dawi | Michele Starnoni | Giovanni Porta | Xavier Sánchez‐Vila
Source: Water Resources Research (article, 2024-11-01)
Field: Materials Science — Surfaces, Coatings and Films

Pore‐Scale Coupling of Flow, Biofilm Growth, and Nutrient Transport: A Microcontinuum Approach Abstract Biofilms are microbial communities that influence the chemical and physical properties of porous media. Understanding their formation is essential for different topics, such as water management, bioremediation, and oil recovery. In this work, we present a pore‐scale model for biofilm dynamics that is fully coupled with fluid flow and transport of growth‐limiting nutrients. Built upon micro‐continuum theory, the model considers biofilm as a fluid‐filled micro‐porous medium and simulates flow based on a coupled Darcy‐Brinkman‐Stokes model. We outline the key assumptions of the model and present the governing equations of biofilm dynamics, along with details of their numerical implementation. Through numerical simulations of biofilm development at the scale of a single pore, we analyze the influence of flow dynamics upon biofilm spatial distribution, as well as the way effective permeability is altered and evolves under different growth conditions. Our emphasis is on the critical hydrodynamic point, that is, the transition between bulky and dispersive biofilm shapes as a function of the driving parameters. We introduce a dimensionless number, termed , defined as the ratio between hydrodynamic and biomass cohesion forces, which provides a bulk characterization of the biomass‐flow system, and allows to assess biofilm morphology and growth patterns. We then discuss results in relation to available experimental data, where estimated values are in line with specific biofilm growth patterns, ranging from boundary‐layer appearance to bulky shapes . Nutrient ; Environmental science ; Scale (ratio) ; Coupling (piping) ; Flow (mathematics) ; Biofilm ; Soil science ; Mechanics ; Environmental engineering ; Geotechnical engineering ; Materials science ; Hydrology (agriculture) ; Geology ; Ecology ; Biology ; Physics ; Bacteria ; Composite material Polymer Surface Interaction Studies ; Bacterial biofilms and quorum sensing ; Pickering emulsions and particle stabilization
Authors: Victor-Tapio Rangel-Kuoppa
Source: Discover Energy (article, 2024-10-01)
Field: Materials Science — Materials Chemistry

A more accurate Co-Content function calculation, using alternative integration methods, for Current–Voltage curves measured in the zero volt to open-circuit voltage range Abstract In this article, the application of the Newton–Cotes quadrature formula, the 3/8 rule, the Boole’s rule, and order 5 and 6 integration techniques, are explored to more accurately calculate the Co-Content function, of Current–Voltage ( IV ) measurements done between 0 V and the open circuit voltage, which include a percentage noise of the short circuit current. Their impact on the extraction of the five photovoltaic devices’ parameters (within the one-diode model) is investigated and reported. The shunt resistance, series resistance, ideality factor, and photocurrent can be obtained with less than 10% error, using these integration techniques and 101 measured points per volt, when the percentage noise is 0.05% or less, of the short circuit current. It is not possible to obtain the saturation current with less than 10% error. These integration techniques are implemented in photovoltaic devices, such as solar cells and single-crystalline silicon, CdTe, CIGS, and heterojunction with intrinsic thin-layer solar panels IV curves, to extract the five solar cell parameters. Open-circuit voltage ; Voltage ; Range (aeronautics) ; Volt ; Current (fluid) ; Zero (linguistics) ; Function (biology) ; Analytical Chemistry (journal) ; Materials science ; Electrical engineering ; Chemistry ; Engineering ; Chromatography Machine Learning in Materials Science ; Transition Metal Oxide Nanomaterials ; Surface and Thin Film Phenomena