jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lorenzo Serva | Giorgio Marchesini | Maria Chinello | Barbara Contiero | Sandro Tenti | Massimo Mirisola | Daniel Grandis | Igino Andrighetto
Source: Italian Journal of Animal Science (article, 2021-01-01)
Field: Chemistry — Analytical Chemistry

Use of near-infrared spectroscopy and multivariate approach for estimating silage fermentation quality from freshly harvested maize The study aimed to evaluate the most predictive traits of fresh maize and the most appropriate multivariate approach for estimating silage fermentation quality. The use of near infrared (NIRs) instruments allowed rapid, accurate and cheap analysis. Samples of fresh maize plant (n = 822) from hybrids (Class Cultivar) of early and late classes, were harvested at three maturity stages: early, medium and late, in three areas (level input field) of ‘low’, ‘medium’ and ‘high’ soil fertility, along three consecutive years. Several algorithms of feature selection, regression, classification and machine learning, were tested. Maize silage fermentative quality was summarised through a Fermentative Quality Index (FQI). We found the most predictive traits as dry matter (DM), starch, and acid detergent lignin (ADL), with negative coefficients, or water-soluble carbohydrates (WSC) with a positive coefficient. FQI was significantly (p < 0.0001) affected by year (negatively for 2018), level input field (positively for high level) and maturity stage (negatively for the late harvest). The most satisfying results were attained using a stepwise regression algorithm (R2 = 0.48), improved by the introduction of fixed effects (R2 = 0.55) and partial least square discriminant analysis (PLS-DA), which was assessed through the Mattew Correlation Coefficient (MCC) in validation (MCC = 0.57). Concluding, among the tested approaches, the use of linear regression after stepwise algorithm or the use of PLS could be of practical help for the farmers to the effective management of the ensiling process of maize plants, even though environmental conditions should be considered to improve the predictions.HIGHLIGHTSThe prediction of FQ at harvest would allow the farmer to tune up the ensiling processThe prediction of FQ through the use of portable NIRs instruments was successfulDM, starch and ADL were negatively related to FQ index Silage ; Multivariate statistics ; Mathematics ; Dry matter ; Fermentation ; Coefficient of determination ; Cultivar ; Agronomy ; Linear regression ; Biotechnology ; Statistics ; Food science ; Biology Spectroscopy and Chemometric Analyses ; Ruminant Nutrition and Digestive Physiology ; Bee Products Chemical Analysis
Authors: Lina Nunes | Eleonora Cintura | João L. Parracha | Bruno Fernandes | V. Silva | Paulina Faria
Source: Infrastructures (article, 2021-06-13)
Field: Materials Science — Polymers and Plastics

Cement-Bonded Particleboards with Banana Pseudostem Waste: Physical Performance and Bio-Susceptibility This article evaluates the relevant properties of cement-bonded particleboards (CBPB) made with a portion of maritime pine (Pinus pinaster) particles replaced with an agricultural waste, banana pseudostem (Musa sp.). The industrial production of CBPB was simulated in the laboratory based on a reference composition defined by a manufacturing company. Test specimens were produced assuming 0%, 25%, 50% and 75% partial replacement of wood particles with banana pseudostem fibres. Some physical properties (bulk density, thermal conductivity, and dimensional stability) and the mould susceptibility of the different variables were assessed. Results show that the thermal conductivity of the boards increased with the banana fibre proportion and ranged between 0.233 W/(m.K) and 0.279 W/(m.K). The bulk density values generally increased with the banana fibre proportion and ranged between 1754–1995 kg/m3, being the highest value obtained for B50 (equal weight proportion of wood particles and banana fibres). Specimens with a higher percentage of banana fibres have reduced thickness resulting from swelling, ranging between 0.38% and 0.11% (for 0% and 75% of banana fibres, respectively). CBPBs with unsanded surfaces seem to be unsusceptible to mould development, whereas those with sanded surfaces, simulating wearing, show some bio-susceptibility. Mould development increases with the proportion of banana fibre. The results highlight the need for regular maintenance of the particleboards, thus avoiding surface wear over time and resulting in the exposure of the wood particles and/or banana fibres to the outside environment. Materials science ; Composite material ; Cement ; Pinus pinaster ; Banana peel ; Agricultural waste ; Swelling ; Pulp and paper industry ; Horticulture ; Botany ; Food science ; Waste management ; Chemistry Natural Fiber Reinforced Composites ; Hygrothermal properties of building materials ; Recycling and utilization of industrial and municipal waste in materials production
Authors: Kiyoshi Kobayashi | T. Suzuki
Source: Electrochemistry (article, 2021-11-04)
Field: Chemistry — Electrochemistry

Extended Distribution of Relaxation Time Analysis for Electrochemical Impedance Spectroscopy The distribution of relaxation time (DRT) is increasingly investigated as a novel analytical method for electrochemical impedance spectroscopy. However, this method has not yet been generalized, as it cannot be applied to a spectrum influenced by an isolated capacitator and a resistor connected in parallel with an inductor. To generalize the DRT analysis, we propose a novel principal relation and actual calculation methods using an iterative elastic net regularization algorithm. The elastic net regularization was implemented using the Levenberg–Marquardt method. The proposed algorithm aids in analyzing the DRT for spectra that cannot be solved using conventional methods. We compared the DRT results in different regularization methods obtained from the proposed program with those obtained from other open-source programs. Additionally, the realistic problems of the DRT analysis are discussed considering the calculated results and their theoretical basis. Different DRT curves can be obtained depending on the particular program and regularization methods, even when the spectrum is the same. Moreover, overconfidence in the electrochemical DRT method can be avoided with a clear understanding of DRT basics. Regularization (linguistics) ; Dielectric spectroscopy ; Electrical impedance ; Algorithm ; Relaxation (psychology) ; Iterative method ; Applied mathematics ; Computer science ; Mathematics ; Mathematical optimization ; Mathematical analysis ; Analytical Chemistry (journal) ; Electrochemistry ; Chemistry ; Physics ; Artificial intelligence ; Physical chemistry ; Chromatography Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Conducting polymers and applications
Authors: Paola Marrone | Francesco Asdrubali | Daniela Venanzi | Federico Orsini | Luca Evangelisti | Claudia Guattari | Roberto De Lieto Vollaro | Lucia Fontana | Gianluca Grazieschi | Paolo Matteucci | Marta Roncone
Source: Energies (article, 2021-02-25)
Field: Chemistry — Spectroscopy

On the Retrofit of Existing Buildings with Aerogel Panels: Energy, Environmental and Economic Issues Among the super insulating materials, aerogel has interesting properties: very low thermal conductivity and density, resistance to high temperatures and transparency. It is a rather expensive material, but incentives in the field can improve its economic attractiveness. Starting from this, the thermal behavior of a test building entirely insulated with aerogel panels was investigated through an extended experimental campaign. A dynamic simulation model of a case study building was generated to better comprehend the energy savings obtained through aerogel in terms of energy demand over a whole year. The investigation was completed by computing the carbon and energy payback times of various retrofit strategies through a life cycle assessment approach, as well as by a cost-benefit analysis through a probabilistic financial framework. Compared to conventional insulation materials, aerogel is characterized by a higher energy and carbon payback time, but it guarantees better environmental performance in the whole life cycle. From an economic-financial perspective, the aerogel retrofit is the best in the current tax incentive scenario. However, due to its higher lump-sum investment, aerogel’s net present value is very sensitive to tax deductions, and it is riskier than the best comparable materials in less favorable tax scenarios. Aerogel ; Incentive ; Efficient energy use ; Retrofitting ; Environmental economics ; Investment (military) ; Tax incentive ; Transparency (behavior) ; Energy conservation ; Computer science ; Materials science ; Engineering ; Economics ; Microeconomics ; Structural engineering ; Composite material ; Electrical engineering Aerogels and thermal insulation
Authors: Christopher R. Jones | Alicia Aguilar-Corona | Carlos Amador‐Bedolla | P.J. Fryer
Source: Drying Technology (article, 2021-05-12)
Field: Materials Science — Polymers and Plastics

Dynamics of fabric and dryer sheet motion in domestic clothes dryers Positron emission particle tracking (PEPT) has been used to investigate the motion of radioactively labeled tracer particles attached to fabrics and solid fabric enhancer (SFE) delivery articles, such as dryer sheets, in the domestic clothes dryer. This work examines the dynamics of motion within the dryer across a range of operating conditions. Six regions within the dryer drum are identified, demonstrating the range of movements experienced by items during tumbling. These show clear correlation with existing flow regimes describing behavior of granular media in rotating drums. Fabric motion is primarily cataracting to maximize the surface area of fabric available to interact with drying air in the falling region, with some conditions moving toward centrifuging or cascading flows. Movement in the axial direction was significantly slower than the primary radial flow. Dryer sheets were more prone to centrifuging than fabrics, with significant time spent in contact with the drum wall. Conversely, a wool dryer ball was more likely to cascade, spending time mixed into the top of a fabric bed which forms in the impact and lifting regions. Behavior in this bed is primarily determined by frictional interactions with the drum wall, which subsequently affects behavior in the 5 remaining regions. The most significant changes to this behavior were observed when changing fabric moisture content and volumetric fill ratio, with wet fabrics and smaller load sizes both exhibiting faster falling speeds and spending more time in the fabric bed. The changes were most significant in the lifting, falling and detachment regions, with varying acceleration and shearing likely to influence both fabric wear and SFE delivery. Drum ; Materials science ; Mechanics ; Composite material ; Shearing (physics) ; Magnetosphere particle motion ; Falling (accident) ; Moisture ; Environmental science ; Mechanical engineering ; Engineering ; Physics Textile materials and evaluations ; Granular flow and fluidized beds ; Material Properties and Processing
Authors: Jayanthi Narayanan | José G. Vargas‐Hernández | Itzia I. Padilla‐Martínez | Pandiyan Thangarasu | Sonia Estefanía Santos Garay | Cristian Brayan Palacios Cabrera | Alan Javier Santiago Cuevas
Source: Ceramics International (article, 2021-04-20)
Field: Chemistry — Organic Chemistry

Geometry influenced adsorption of fluoxetine over the surface of RuFeO3 and CeFeO3 nanoparticles: Kinetics and thermodynamic studies Adsorption ; Materials science ; Mesoporous material ; Aqueous solution ; Nanoparticle ; Metal ; Langmuir adsorption model ; Chemical engineering ; Inorganic chemistry ; Nanotechnology ; Chemistry ; Physical chemistry ; Catalysis ; Organic chemistry ; Metallurgy Nanomaterials for catalytic reactions ; Pharmacological Effects and Toxicity Studies ; Nanocluster Synthesis and Applications
Authors: Laura Usón | Cristina Yus | Gracia Mendoza | Éric Leroy | Silvia Irusta | Teresa Alejo | David García‐Domingo | Ane Larrea | Manuel Arruebo | Raúl Arenal | Víctor Sebastián
Source: Advanced Functional Materials (article, 2021-11-23)
Field: Materials Science — Materials Chemistry

Nanoengineering Palladium Plasmonic Nanosheets Inside Polymer Nanospheres for Photothermal Therapy and Targeted Drug Delivery Abstract The incorporation of plasmonic nanoconstructs in biodegradable polymeric nanoparticles (NPs), together with therapeutic drugs in a controlled procedure is of interest for different applications in Nanomedicine. Advanced hybrid nanomaterials can be engineered by combining the in situ formation of plasmonic palladium nanosheets (NSs) and the proper ionic nature of the encapsulated drug. This study presents a new procedure to synthesize hybrid nanostructures by a Pickering double emulsion. Anisotropic palladium (Pd) NSs with unique near‐infrared (NIR)‐optical properties can be assembled within a poly lactic‐ co ‐glycolic acid matrix of &lt; 200 nm NPs, when Pd precursors are in situ reduced via a gas‐phase procedure. The hybrid nanomaterials respond to external NIR light stimulus. The unprecedented precision to assemble, in a single stage, plasmonic nanoconstructs having a total loading selectivity, when encapsulated in combination with hydrophobic drugs, offers new opportunities in the new class of theragnostics, in particular when triggered drug delivery and photothermal therapies are required. Materials science ; Photothermal therapy ; Nanotechnology ; Nanomedicine ; Drug delivery ; Nanomaterials ; Nanoparticle ; Photothermal effect ; Palladium ; Nanoengineering ; Plasmonic nanoparticles ; Plasmon ; Polymer ; Organic chemistry ; Chemistry ; Optoelectronics ; Catalysis Pickering emulsions and particle stabilization ; Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems
Authors: Benedict Brown | Adam Ward | Zayeem Fazili | Jesper Østergaard | Kofi Asare‐Addo
Source: Advanced Drug Delivery Reviews (review, 2021-08-28)
Field: Chemistry — Spectroscopy

Application of UV dissolution imaging to pharmaceutical systems UV-vis spectrometry is widely used in the pharmaceutical sciences for compound quantification, alone or in conjunction with separation techniques, due to most drug entities possessing a chromophore absorbing light in the range 190-800 nm. UV dissolution imaging, the scope of this review, generates spatially and temporally resolved absorbance maps by exploiting the UV absorbance of the analyte. This review aims to give an introduction to UV dissolution imaging and its use in the determination of intrinsic dissolution rates and drug release from whole dosage forms. Applications of UV imaging to non-oral formulations have started to emerge and are reviewed together with the possibility of utilizing UV imaging for physical chemical characterisation of drug substances. The benefits of imaging drug diffusion and transport processes are also discussed. Dissolution ; Pharmaceutical technology ; Pharmaceutical sciences ; Dosage form ; Chemistry ; Nanotechnology ; Materials science ; Medicine ; Pharmacology ; Chromatography ; Organic chemistry Analytical Chemistry and Chromatography ; Crystallization and Solubility Studies ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Esra Arslanoğlu | Muhammet Ş. A. Eren | Hasan Arslanoğlu | Harun Çiftçi
Source: Biomass Conversion and Biorefinery (article, 2021-02-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fabrication, characterization, and adsorption applications of low-cost hybride activated carbons from peanut shell-vinasse mixtures by one-step pyrolysis Carbonization ; Vinasse ; Activated carbon ; Pyrolysis ; Adsorption ; BET theory ; Titration ; Iodine value ; Carbon fibers ; Specific surface area ; Chemical engineering ; Chemistry ; Materials science ; Nuclear chemistry ; Organic chemistry ; Catalysis ; Composite material Supercapacitor Materials and Fabrication ; Adsorption and biosorption for pollutant removal ; Advanced Battery Materials and Technologies
Authors: Colin McGinty | Jakub Kołacz | Christopher M. Spillmann
Source: Applied Physics Letters (article, 2021-10-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Large rewritable liquid crystal pretilt angle by <i>in situ</i> photoalignment of brilliant yellow films The ability to control the alignment of liquid crystals (LCs) is a challenge that is near-universal in LC research and applications. While several practical solutions exist for controlling the azimuthal (in-plane) alignment of LCs at an interface, control over the polar, or pretilt angle of the LC often requires a combination of materials or expensive and intricate processing. Here, we introduce a method for exerting control over large pretilt angles utilizing a two-step exposure method applied to Brilliant Yellow (BY) photoalignment films. We demonstrate that BY photoalignment films have the unique ability to enforce a large range of pretilt angles spanning homeotropic (90°) and planar (0°) anchoring conditions at the LC-substrate interface. The alignment is stable over time, rewritable, and patternable. Ultimately the control established here provides a powerful and low-cost means to align and take full advantage of the anisotropic and electro-optic properties of LCs for a wide range of applications. Homeotropic alignment ; Liquid crystal ; Materials science ; Planar ; Liquid-crystal display ; Optoelectronics ; Substrate (aquarium) ; Optics ; Nanotechnology ; Computer science Liquid Crystal Research Advancements ; Advanced Materials and Mechanics ; Photonic Crystals and Applications
Authors: Juan Arcenegui-Troya | Pedro E. Sánchez‐Jiménez | Antonio Perejón | Luis A. Pérez‐Maqueda
Source: Processes (article, 2021-10-19)
Field: Materials Science — Materials Chemistry

Relevance of Particle Size Distribution to Kinetic Analysis: The Case of Thermal Dehydroxylation of Kaolinite Kinetic models used for the kinetic analysis of solid-state reactions assume ideal conditions that are very rarely fulfilled by real processes. One of the assumptions of these ideal models is that all sample particles have an identical size, while most real samples have an inherent particle size distribution (PSD). In this study, the influence of particle size distribution, including bimodal PSD, in kinetic analysis is investigated. Thus, it is observed that PSD can mislead the identification of the kinetic model followed by the reaction and even induce complex thermoanalytical curves that could be misinterpreted in terms of complex kinetics or intermediate species. For instance, in the case of a bimodal PSD, kinetics is affected up to the point that the process resembles a reaction driven by a multi-step mechanism. A procedure for considering the PSD in the kinetic analysis is presented and evaluated experimentally by studying the thermal dehydroxylation of kaolinite. This process, which does not fit any of the common ideal kinetic models proposed in the literature, was analyzed considering PSD influence. However, when PSD is taken into account, the process can be successfully described by a 3-D diffusion model (Jander’s equation). Therefore, it is concluded that the deviations from ideal models for this dehydroxylation process could be explained in terms of PSD. Kinetic energy ; Kaolinite ; Diffusion ; Particle-size distribution ; Thermodynamics ; Kinetics ; Particle (ecology) ; Particle size ; Diffusion process ; Thermal analysis ; Thermal ; Chemistry ; Statistical physics ; Mineralogy ; Physical chemistry ; Physics ; Computer science ; Classical mechanics Thermal and Kinetic Analysis ; Zeolite Catalysis and Synthesis ; Clay minerals and soil interactions
Authors: Perumal Gobinath | Ponnusamy Packialakshmi | K. Vijayakumar | Magda H. Abdellattif | Mohd Shahbaaz | Akbar Idhayadhulla | Radhakrishnan Surendrakumar
Source: Frontiers in Molecular Biosciences (article, 2021-05-11)
Field: Chemistry — Organic Chemistry

Synthesis and Cytotoxic Activity of Novel Indole Derivatives and Their in silico Screening on Spike Glycoprotein of SARS-CoV-2 This work investigated the interaction of indole with SARS-CoV-2. Indole is widely used as a medical material owing to its astounding biological activities. Indole and its derivatives belong to a significant category of heterocyclic compounds that have been used as a crucial component for several syntheses of medicine. A straightforward one-pot three-component synthesis of indole, coupled with Mannich base derivatives 1a-1j, was synthesized without a catalyst. The products were confirmed by IR, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, mass spectra, and elemental analysis. The indole derivatives were tested for cytotoxic activity, using three cancer cell lines and normal cell lines of Human embryonic kidney cell (HEK293), liver cell (LO2), and lung cell (MRC5) by MTT assay using doxorubicin as the standard drug. The result of cytotoxicity indole compound 1c (HepG2, LC<sub>50</sub>-0.9 μm, MCF-7, LC<sub>50</sub>-0.55 μm, HeLa, LC<sub>50</sub>-0.50 μm) was found to have high activity compared with other compounds used for the same purpose. The synthesized derivatives have revealed their safety by exhibiting significantly less cytotoxicity against the normal cell line (HEK-293), (LO2), and (MRC5) with IC<sub>50</sub> > 100 μg/ml. Besides, we report an <i>in silico</i> study with spike glycoprotein (SARS-CoV-2-S). The selective molecules of compound 1c exhibited the highest docking score -2.808 (kcal/mol) compared to other compounds. This research work was successful in synthesizing a few compounds with potential as anticancer agents. Furthermore, we have tried to emphasize the anticipated role of indole scaffolds in designing and discovering the much-awaited anti-SARS CoV-2 therapy by exploring the research articles depicting indole moieties as targeting SARS CoV-2 coronavirus. Indole test ; HeLa ; Cytotoxicity ; Chemistry ; In silico ; Cell culture ; MTT assay ; Stereochemistry ; Docking (animal) ; P-glycoprotein ; Combinatorial chemistry ; In vitro ; Biochemistry ; Multiple drug resistance ; Biology ; Medicine ; Gene Synthesis and biological activity ; Computational Drug Discovery Methods ; Click Chemistry and Applications