jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Samson Adehuga Omogbehin | Emmanuel Folorunsho Olasehinde | Matthew A. Adebayo | Jamiu Mosebolatan Jabar
Source: Chemical Science International Journal (article, 2024-08-10)
Field: Materials Science — Materials Chemistry

Investigating the Inhibition of Mild Steel Corrosion by Tectona grandis Dye Extract in Acidic Environment: Thermodynamics and Adsorption Properties An investigation into the corrosion inhibition potential of Tectona grandis dye extract on mild steel in 1 M HCl was conducted using weight loss and electrochemical techniques. Adsorption and thermodynamic parameters were also evaluated to understand the influence of extract structure on inhibition performance. Analysis revealed that Tectona grandis dye extract exhibited light absorption properties characteristic of a dye molecule, the Phytochemical analysis of Tectona grandis dye extract shows the presence of Alkaloids, flavonoids, saponins phenols, anthraquinones, and tannins, the result also demonstrated a direct correlation between extract concentration and inhibition efficiency, while an inverse correlation was observed with temperature. Increased activation energy in inhibited solutions supported the temperature dependence. Positive ΔH values indicated an endothermic reaction, and negative ΔGads values suggested spontaneous adsorption following the Langmuir and Freundlich isotherm models. Potentiodynamic polarization curves revealed mixed-type inhibition behavior. These findings suggest the Tectona grandis dye extract possesses promising corrosion inhibition properties. Tectona ; Adsorption ; Freundlich equation ; Chemistry ; Phytochemical ; Langmuir adsorption model ; Corrosion ; Langmuir ; Nuclear chemistry ; Inorganic chemistry ; Organic chemistry ; Botany ; Biochemistry Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Electrochemical Analysis and Applications
Authors: Zhiwei Wu | YU Wei-qin | Fa Luo | Yue Jin | L. Pan | Qian-Jun Deng | Qing Wang | Mingguang Yu
Source: Molecules (article, 2024-12-11)
Field: Materials Science — Materials Chemistry

Construction of Heterogeneous Aggregation-Induced Emission Microspheres with Enhanced Multi-Mode Information Encryption Traditional organic light-emitting materials hinder their anti-counterfeiting application in solid state due to their aggregation-caused quenching effect. A facile and straightforward method was reported to introduce AIE molecules into microspheres and manipulate different reaction parameters to prepare AIE microspheres with different morphologies. In this strategy, fluorescent microspheres with spherical, apple-shaped, and hemoglobin-like types were synthesized. Driven by the photocyclization and oxidation of tetraphenylethene, microspheres can be used as an aqueous fluorescence ink with erasable properties. The fluorescent patterns printed by microsphere ink on paper can be irreversibly erased by prolonged exposure to ultraviolet light (365 nm, 60 mw/cm<sup>2</sup>). Moreover, the multi-morphology microspheres can be further arranged for multiple-information encryption and anti-counterfeiting of barcodes and two-dimensional codes, in which double validation was carried out through fluorescence spectroscopy and laser confocal microscopy. This approach provides a new method for more reliable anti-counterfeiting and information encryption. Aggregation-induced emission ; Microsphere ; Encryption ; Mode (computer interface) ; Computer science ; Chemistry ; Chemical engineering ; Nanotechnology ; Materials science ; Computer security ; Human–computer interaction ; Engineering ; Physics ; Fluorescence ; Optics Luminescence and Fluorescent Materials ; Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications
Authors: Joseph J. Marziale | Jason Sun | Eric A. Walker | Yu Chen | David Salač | James Chen
Source: Journal of the American Ceramic Society (article, 2024-01-30)
Field: Materials Science — Ceramics and Composites

The effect of chemical vapor infiltration process parameters on flexural strength of porous α$\alpha$‐SiC: a numerical model Abstract The flexural strength variability of ‐ based ceramics at elevated temperatures creates the need for an Integrated Computational Materials Engineering (ICME) framework that relates the strength of a specimen directly to its manufacturing process. To create this ICME framework, a model must first be developed which establishes a relationship between the chemical vapor infiltration (CVI) process and parameters, the resulting mesoscale pores, and the overall macroscale flexural strength. Here, a nonlinear single‐pore model of CVI is developed used in conjunction with a four‐way coupled thermo‐mechanical damage model. The individual components of the model are tested and a sample system under a four‐point bending test is explored. Results indicate that specimens with an initial porosity greater than 30% require temperatures below 1273 K to maintain structural integrity, while those with initial porosities less than 30% are temperature‐independent, allowing for optimization of the CVI processing time without compromising strength. Chemical vapor infiltration ; Flexural strength ; Materials science ; Infiltration (HVAC) ; Porosity ; Composite material ; Porous medium Advanced ceramic materials synthesis ; Aluminum Alloys Composites Properties ; Advanced materials and composites
Authors: Lauren Hoang | Asir Intisar Khan | Robert K. A. Bennett | H T Kim | Zhepeng Zhang | M. B. Hocking | Alexander A. Choi | Il‐Kwon Oh | Andrew J. Mannix | Eric Pop
Source: arXiv (Cornell University) (preprint, 2024-09-27)
Field: Materials Science — Materials Chemistry

Enabling P-type Conduction in Bilayer WS2 with NbP Topological Semimetal Contacts Two-dimensional (2D) semiconductors are promising for low-power complementary metal oxide semiconductor (CMOS) electronics, which require ultrathin n- and p-type transistor channels. Among 2D semiconductors, WS2 is expected to have good conduction for both electrons and holes, but p-type WS2 transistors have been difficult to realize due to the relatively deep valence band and the presence of mid-gap states with conventional metal contacts. Here, we report topological semimetal NbP as p-type electrical contacts to bilayer WS2 with up to 5.8 microamperes per micron hole current at room temperature; this is the highest to date for sub 2 nm thin WS2 and more than 50 times larger than with metals like Ni or Pd. The p-type conduction is enabled by the simultaneously high work function and low density of states of the NbP, which reduce Fermi level pinning. These contacts are sputter-deposited at room temperature, an approach compatible with CMOS fabrication, a step towards enabling ultrathin WS2 semiconductors in future nanoelectronics. Semimetal ; Bilayer ; Thermal conduction ; Type (biology) ; Condensed matter physics ; Topology (electrical circuits) ; Physics ; Materials science ; Mathematics ; Geology ; Quantum mechanics ; Chemistry ; Band gap ; Combinatorics 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Антоніна Анатоліївна Дубініна | Valentyna Zaitseva | Svitlana Lehnert | Andriy Vindyk | Oleksander Cherevko | Лариса Василівна Татар | Olena Skyrda | Світлана Володимирівна Прасол
Source: Eastern-European Journal of Enterprise Technologies (article, 2024-10-30)
Field: Materials Science — Biomaterials

Design of a new film with predefined properties based on chitosan Synthetic and chitosan-based polymer films were selected as the object of this study. Chitosan is a natural non-toxic oligosaccharide of animal origin capable of biological destruction. The task addressed in this work is to design a chitosan-based film with increased bacteriostatic properties for use in combined packaging material as a protective layer. The use of such films would provide for the biodegradability of packaging materials, which could make it possible to reduce the use of synthetic polymers in packaging and improve the environment. A feature of the proposed method is that a decoction of yarrow grass is used as a chitosan solvent, which leads to the acquisition of bacteriostatic properties by the films. It has been established that the highest bacteriostatic effect is achieved in this case. The results of the research showed a significant growth retardation zone of E. coli, B. cereus, B. subtilis, P. aeruginosa, S. aureus, C. albicans, Saccharomyces and Lactobacillus strains. The set of studies made it possible to optimize the recipe composition of films based on chitosan (%): chitosan – 2.0...2.5, glycerin – 1.0...1.5, decoction of yarrow grass – 96...97 (according to the ratio of medicinal plant raw materials:water – 1:10). It was determined that the values of indicators of the destructive stress at the rupture of the designed films (14.0...16.0 MPa) exceed the permissible minimum, which should be 13.7 MPa for polymer films. The designed films are not intended for independent use as packaging material but should be applied as part of combined packaging as a protective layer. The scope of application of the current research results is the packaging of food products, namely fruit and vegetable pastes and sauces. Chitosan ; Materials science ; Computer science ; Chemical engineering ; Engineering Nanocomposite Films for Food Packaging
Authors: Guillermo Gómez | Pilar Argumosa | Jesús Maellas
Source: Fuels (article, 2024-09-02)
Field: Materials Science — Materials Chemistry

A Real Case: How to Combine Polarization Curve and EIS Techniques to Identify Problematic Cells in a Commercial PEM Stack Nowadays, the mobility sector is assessing different technologies to substitute the internal combustion engines in order to reduce its CO2 emissions; one of these possible alternatives is the Polymer Electrolyte Membrane (PEM) fuel cell. So, the development of non-destructive diagnostic tools that could identify defective cells and/or any malfunctioning behavior and can be easily embarked on in any vehicle will expand the durability of PEM fuel cells, improve their performance, and enable them to carry out predictive maintenance. In this research, we use an in-house developed methodology that combines the polarization curve and electrochemical impedance spectroscopy (EIS) techniques to characterize different cells of a commercial PEM stack, identifying malfunctioning ones. Stack (abstract data type) ; Polarization (electrochemistry) ; Computer science ; Chemistry ; Operating system Machine Learning in Materials Science
Authors: Raphael Fortulan | Adam Brown | Illia Serhiienko | Takao Mori | Sima Aminorroaya Yamini
Source: Physica B Condensed Matter (article, 2024-07-16)
Field: Materials Science — Materials Chemistry

Thermoelectric performance of n-type Bi2S3-alloyed Bi2Te2.7Se0.3 The effect of isovalent sulfur substitution on the thermoelectric properties of n-type Bi2Te2.7Se0.3 alloy has been studied systematically. At low sulfur concentrations, where the samples are single phase, changes in defect chemistry and density of states impacted significantly electrical resistivity and thermopower. Isovalent sulfur substitution enhanced thermopower and reduced thermal conductivity for both single and multiphase samples. This reduction in thermal conductivity was particularly noticeable in samples containing Bi2S3-based secondary phase, reaching a low thermal conductivity of ∼0.3 W m−1 K−1 at 525 K. A maximum figure of merit, zT, of 0.55 was achieved for the sample with the highest sulfur content, demonstrating the potential of this approach to optimise the thermoelectric performance of Bi2Te3-based materials. Thermoelectric effect ; Materials science ; Seebeck coefficient ; Thermal conductivity ; Thermoelectric materials ; Electrical resistivity and conductivity ; Alloy ; Sulfur ; Phase (matter) ; Analytical Chemistry (journal) ; Metallurgy ; Thermodynamics ; Composite material ; Chemistry ; Physics Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Thermal Expansion and Ionic Conductivity
Authors: Safaa A. Zareed | Najat A. Dahham | Alaa A. Al‐Jobory
Source: Tikrit Journal of Pure Science (article, 2024-02-25)
Field: Materials Science — Materials Chemistry

Theoretical Study of Electronic and Thermoelectric Properties of Ultra-Thin Silicene and Germanene In this study, we used the Non-Equilibrium Green Function (NEGF) and Density Functional Theory (DFT) to analyze the nanoscale electronic properties of silicene and germanene structures, the band structure and Density of State (DOS) for the unit cell of silicene and germanene are found that the energy gap is (0 eV) in both. A comparison was made between silicene and germanene in terms of electrical and thermal properties, by calculating the transmission coefficient T(E) for silicene patterns (Si1, Si2, Si3, and Si4) and germanene patterns (Ge1, Ge2, Ge3, and Ge4). The results show that T(E) decreases with increasing etching depth, which also leads to a decrease in electronic conductivity. Moreover, the value of the Seebeck coefficient (S) increases with increasing drilling depth, and also the sign of S varies from a positive value for (Si1, Si4, Ge1, Ge2, Ge4) to a negative value for (Si2, Si3, Ge3) at Fermi level (Ef) equal to (0 eV). The highest value of the figure of merit is about (1.8) for the Ge4 structure. Germanene ; Silicene ; Materials science ; Thermoelectric effect ; Condensed matter physics ; Engineering physics ; Thermoelectric materials ; Nanotechnology ; Graphene ; Thermodynamics ; Physics Graphene research and applications ; Semiconductor materials and interfaces ; Graph theory and applications
Authors: Robert M. Hazen | Peter C. Burns | Henderson James Cleaves | Robert T. Downs | Sergey V. Krivovichev | Michael L. Wong
Source: Journal of The Royal Society Interface (article, 2024-11-01)
Field: Materials Science — Materials Chemistry

Reply to ‘Experimental measurement of assembly indices are required to determine the threshold for life’ We clarify misunderstandings of Walker et al. (Walker <i>et al.</i> 2024 <i>J. R. Soc. Interface</i> 21, 20240367 (doi:10.1098/rsif.2024.0367)) related to studies of the assembly pathways of molecular subunits in minerals. The finding that these subunits have calculated assembly pathways less than approximately 25 informs a central premise of Assembly Theory-that only life can produce numerous copies of molecules with assembly indices above a threshold value. What that threshold value might be, and whether the same value applies to chemical systems as different as organic and inorganic molecules, are questions deserving of additional study. Premise ; Value (mathematics) ; Molecule ; Computational biology ; Chemistry ; Biological system ; Nanotechnology ; Statistical physics ; Biology ; Physics ; Mathematics ; Materials science ; Statistics ; Quantum mechanics ; Philosophy ; Epistemology Polyoxometalates: Synthesis and Applications ; Radioactive element chemistry and processing ; History and advancements in chemistry
Authors: Kun Zhao | Matteo Baggioli | Wen‐Sheng Xu | Jack F. Douglas | Yun-Jiang Wang
Source: arXiv (Cornell University) (preprint, 2024-02-15)
Field: Materials Science — Materials Chemistry

Atomistic mechanisms of dynamics in a two-dimensional dodecagonal quasicrystal Quasicrystals have been observed in a variety of materials ranging from metal alloys to block copolymers. However, their structural and dynamical properties cannot be readily described in terms of conventional solid-state models of liquids and solids. We may expect the dynamics of this specific class of quasicrystalline materials to be more like glass-forming liquids in the sense of exhibiting large fluctuations in the local mobility ("dynamic heterogeneity") and non-Arrhenius temperature dependence of relaxation and diffusion. In this work, we investigate a model dodecagonal quasicrystal material in two dimensions (2D) using molecular dynamics (MD) simulations, with a focus on heterogeneous dynamics and non-Arrhenius relaxation and diffusion. As observed in glass-forming liquids and heated crystals, we observe a two-stage relaxation dynamics in the self-intermediate scattering function $F_s(k,t)$ of our quasicrystal material. It involves a fast $β$-relaxation and $α$ relaxation process having a highly temperature dependent relaxation time whose activation energy varies in concert with the extent of string-like collective motion, a phenomenon recognized to occur in glass-forming liquids at low temperatures and crystalline materials at elevated temperatures. After examining the dynamics of our dodecagonal quasicrystalline material in great detail, we conclude that the dynamics of these materials more closely resembles observations on metallic glass-forming liquids than crystalline materials. Quasicrystal ; Amorphous solid ; Materials science ; Condensed matter physics ; Crystallography ; Physics ; Chemistry Quasicrystal Structures and Properties
Authors: Edward Loukopoulos | Pantelis N. Trikalitis
Source: European Journal of Inorganic Chemistry (article, 2024-12-03)
Field: Chemistry — Inorganic Chemistry

Understanding Structural Dynamics in Flexible Rare‐Earth Metal‐Organic Frameworks Abstract Flexible Metal‐Organic Frameworks (FL‐MOFs) are emerging advanced materials with the ability to respond to various stimuli by adapting their structure and pore. In particular, FL‐MOFs based on rare‐earth (RE) elements offer a unique and sophisticated approach towards truly novel responsive materials and properties. This Concept article provides an overview of the main principles and factors that affect structural features in RE‐FL‐MOFs, identifying trends and exploring potential rational design strategies. Common challenges and possible future research directions are also discussed. Chemistry ; Rare earth ; Metal-organic framework ; Nanotechnology ; Astrobiology ; Dynamics (music) ; Earth science ; Physical chemistry ; Mineralogy Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Advanced NMR Techniques and Applications
Authors: Emre Burak Ertu | Elif Gulbahce-Mutlu | Serife Alpa | Abdullah Öztürk
Source: Journal of Applied Pharmaceutical Science (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Production and biological properties of nano porous glass microparticles for anticancer drug carrier Nanoporous glass (NPG) microparticles were produced by conventional melt-quenching followed by acid-alkali leaching to get material for anticancer drug carriers. NPG exhibited a positive zeta potential of 34 mV after [3-(2-aminoethylamino) propyl] trimethoxysilane treatment. The specific surface area and the total pore volume of NPG were 47.3 m2/g and 0.692 cm3/g, respectively. The 5-Fluorouracil (5FU) loading capacity of NPG was measured as 18.2 ± 0.2 mg5FU/gNPG. The drug release rate was monitored for 120 hours. To evaluate the cytotoxic effects of NPG on both MCF-7 breast cancer cells and MCF-12A, an immortalized cell line, the study employed the 2,3-bis [2-methoxy-4-nitro-5-sulfophenyl]-2H-tetrazolium5-carboxanilide inner salt (XTT) assay. The XTT results revealed that NPG showed a time and concentration-dependent cytotoxic effect. It is anticipated that NPG is a safe and effective material for drug delivery systems for in vitro and a promising alternative material for in vivo applications. Anticancer drug ; Nano- ; Nanotechnology ; Materials science ; Porosity ; Drug ; Drug carrier ; Drug delivery ; Chemistry ; Pharmacology ; Composite material ; Medicine Mesoporous Materials and Catalysis ; Nanoparticle-Based Drug Delivery ; Bone Tissue Engineering Materials
Authors: Hadeel El‐Shall | Noura El‐Ahmady El‐Naggar | Asmaa Atallah El-Sawah | Marwa Eltarahony
Source: Egyptian Journal of Microbiology (article, 2024-11-11)
Field: Materials Science — Biomaterials

One-step green facile fabrication of chitosan nanoparticles, characterization and application against building-colonizing meristematic fungi Bio-deterioration of buildings is a big challenging issue worldwide. Therefore, the current study quested for finding ecofriendly approach against building bio-deteriorator microbes. Chitosan nanoparticles (CNPs) are natural polymeric nanoparticles with unique characteristics and exhibits potent antimicrobial activities, making them a promising eco-friendly material for biocontrol. Thus, this study describes an alternative, green synthesis approach for CNPs using the cell free supernatant of Paradendryphiella sp. as a crosslinking and stabilizing agent. The SEM and TEM analyses showed that CNPs are spherical particles, with sizes ranging from 10.1 to 26.08 nm. The presence of several bands in the FTIR spectrum shows the existence of capping agents that stabilize CNPs. X-ray diffraction reveals the crystalline structure of CNPs. A time-dependent antifungal assay of CNPs was implemented against Exophiala dermatitidis as a model of slow growing meristematic black fungi that causes building biodeterioration. The results revealed that upon employing the higher doses of CNPs (250 and 500 µg/mL), significant fungicidal potency was exhibited within 33 and 57 h exposure time, with significant (P–value ˂ 0.0001) lethality rate (K-value) of -0.06 and -0.009 CFU/ml/h, respectively. Further, SEM micrographs illustrated the prevalence of morphologically deteriorated macroconidia or budding yeast cells without polymeric matrix of biofilm with minor presence of crinkled mycelia and avoiding of pseudo-hyphae and sclerotic bodies, reflecting thereby the losing of cells pathogenicity through lethal antimycotic potentiality of CNPs. Hence, the current study highlights the possibility of employing the mycogenically fabricated CNPs as hygienic coating in maintaining building structures from bioreceptivity and biodeterioration. Chitosan ; Characterization (materials science) ; Fabrication ; Nanoparticle ; Chemistry ; Nanotechnology ; Botany ; Chemical engineering ; Materials science ; Biology ; Organic chemistry ; Engineering Nanocomposite Films for Food Packaging
Authors: Fatma Aouaini | Nadia Bouaziz | A. Cherif | Haifa A. Alyousef | Abdelmottaleb Ben Lamine
Source: Applied Sciences (article, 2024-03-01)
Field: Chemistry — Spectroscopy

Selective Extraction and Determination of Hydrocortisone and Dexamethasone in Skincare Cosmetics: Analytical Interpretation Using Statistical Physics Formalism Molecularly imprinted polymers (MIPs), as magnetic extraction adsorbents, are used for the selective, rapid determination and extraction of dexamethasone and hydrocortisone in skincare products. Therefore, in this paper, magnetic molecularly imprinted polymers (MMIPs) and magnetic non-molecularly imprinted polymers (MNIPs) were utilized as adsorbents to describe the adsorption phenomena of dexamethasone and hydrocortisone. This interpretation, based on a statistical physics theory, applies the multilayer model with saturation to comprehend the adsorption of the drugs. Results obtained via numerical simulation revealed that dexamethasone and hydrocortisone adsorption happens via a non-parallel orientation on the surfaces of MMIPs and MNIPs, and they also showed that the adsorption amount of the MMIPs for the template molecule was notably greater than that of the MNIPs at the same initial concentration. The adsorption energy values retrieved from the data analysis ranged between 7.65 and 15.77 kJ/mol, indicating that the extraction and determination of dexamethasone and hydrocortisone is a physisorption process. Moreover, the distribution of a site’s energy was calculated to confirm the physical nature of the interactions between adsorbate/adsorbent and the heterogeneity of the surfaces of the MMIPs and MNIPs. Finally, the thermodynamic interpretation confirmed the exothermicity and spontaneous nature of the adsorption of these drugs on the tested adsorbents. Formalism (music) ; Cosmetics ; Dexamethasone ; Physics ; Statistical physics ; Medicine ; Internal medicine ; Pathology Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Pesticide Residue Analysis and Safety