jablonkagroup/rise_ai_scientists huggingface dataset:
Source: Biointerface Research in Applied Chemistry (article, 2023-10-15)
Field: Chemistry — Electrochemistry

Bimetallic Nanomaterials-Based Electroanalytical Methods for Detection of Pesticide Residues The application of bimetallic nanoparticles-based electroanalytical techniques in forensic science for pesticide detection residues in various exhibits are the emphasis of this review paper. Although many pesticide detection methods have been developed, nanomaterial-based electroanalytical methods have several benefits, including rapid analysis, cost-effective analysis, downsizing to increase performance, and field deployability. Bimetallic nanoparticles such as gold, platinum, palladium, nickel, and iron-based nanomaterials have been widely used as electrode modification agents for electrocatalytic activities and the synergistic impact of two different metals in a single probe. This review first outlined the applicability of electroanalytical techniques based on the bimetallic sensor for detecting pesticide residue. To assess existing applications and use of bimetallic nanoparticles for pesticide detection, selected studies with sensitivity, the limit of detection (LOD), and analytical application were examined. Finally, the existing difficulties and possible prospects in pesticide detection employing electroanalytical methods were explored. Bimetallic strip ; Nanomaterials ; Nanotechnology ; Pesticide residue ; Pesticide ; Environmental chemistry ; Chemistry ; Materials science ; Organic chemistry ; Biology ; Catalysis Electrochemical Analysis and Applications ; Advanced Chemical Sensor Technologies ; Electrochemical sensors and biosensors
Authors: Mona Khamis | Gamal A. Gouda | Adham M. Nagiub
Source: Bulletin of Pharmaceutical Sciences Assiut (article, 2023-12-01)
Field: Materials Science — Materials Chemistry

BIOSYNTHESIS AND ANTIBACTERIAL EVALUATION OF ZINC OXIDE NANOPARTICLES FROM ONION EXTRACT (ALLIUM CEPA) The aim of this research is to use red onion extract (Allium cepa) in the green synthesis of zinc oxide nanoparticles (ZnO NPs). With an average crystal size of 8.13 nm, X-ray diffraction (XRD) scanning was used to determine the hexagonal wurtzite structure of the ZnO NPs. Infrared spectra (FT-IR) provided evidence of capping and biogenesis stability of ZnO NPs. The absorption peak at 374 nm with an energy gap of 3.32 eV was determined by surface plasmon resonance via UV-visible analysis. Morphological analysis was performed, and the results demonstrated the formation of spherical ZnO NPs with sizes ranging from 2.83 to 15.35 nm. The great purity, intensity, and crystal width of zinc and oxygen was determined by EDS. When compared to a common antibiotic such as ciprofloxacin, which was used as a positive control in the inhibitory zone, ZnO NPs showed more antibacterial effect against E. coli than S. aureus bacteria. Onion extract and DMSO were added to the control wells, but these additions did not produce an inhibitory zone that could be seen. Allium ; Zinc ; Chemistry ; Biosynthesis ; Nanoparticle ; Antibacterial activity ; Nuclear chemistry ; Combinatorial chemistry ; Botany ; Biochemistry ; Biology ; Nanotechnology ; Organic chemistry ; Bacteria ; Materials science ; Genetics ; Enzyme Nanoparticles: synthesis and applications
Authors: Yi Wang | Guang Wang | Mengya Huang | Zijiang Luo | Jihong Wang | Zhao Ding | Xiang Guo | Xuefei Liu
Source: Nanotechnology (article, 2023-03-14)
Field: Materials Science — Materials Chemistry

Electrocatalytic activity of MoSi<sub>2</sub>N<sub>4</sub> monolayers decorated with single transition metal atoms: a computational study Two-dimensional (2D) MoSi<sub>2</sub>N<sub>4</sub>is a newly created material that has superstability and ultrahigh carrier mobility. Besides, the hydrogen evolution reaction activity was proved excellent by doping transition metal (TM) atoms and introducing N vacancies. But, the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) of 2D MoSi<sub>2</sub>N<sub>4</sub>is unclear even. We have explored the electrocatalytic properties (OER/ORR) of MoSi<sub>2</sub>N<sub>4</sub>by introducing Si vacancies and attaching various TM atoms. The structure and optoelectronic characteristics of MoSi<sub>2</sub>N<sub>4</sub>have been researched in detail using density functional theory calculations. By analyzing the density of states, the free energy change diagram and contour maps of TM@V<sub>Si</sub>-MoSiN, the results show that Co@V<sub>Si</sub>-MoSiN has the lowest OER overpotential (0.53 V) among all samples. Additionally, the d-band center is used to explain the electrocatalytic origin of the OER and ORR of TM@V<sub>Si</sub>-MoSiN. Our discoveries expand the 2D TM@V<sub>Si</sub>-MoSiN applicability in the realm of catalysis. Overpotential ; Materials science ; Oxygen evolution ; Transition metal ; Monolayer ; Density functional theory ; Oxygen reduction reaction ; Doping ; Electrocatalyst ; Catalysis ; Crystallography ; Physical chemistry ; Nanotechnology ; Computational chemistry ; Electrode ; Optoelectronics ; Chemistry ; Electrochemistry 2D Materials and Applications ; MXene and MAX Phase Materials ; Electrocatalysts for Energy Conversion
Authors: Momoko Kimata | Takumi Abe
Source: Chemistry (article, 2023-12-12)
Field: Chemistry — Organic Chemistry

Total Synthesis of the Proposed Structure of Indolyl 1,2-Propanediol Alkaloid, 1-(1H-Indol-3-yloxy)propan-2-ol The first total synthesis of the proposed structure of unprecedented indolyl derivative bearing 1,2-propanediol moiety is described. Isomerization of 3-alkoxyindolines through indolenium intermediates was the key step in the total synthesis. 1H, 13C-NMR, IR, and HRMS spectra of the synthetic compound drastically differed to those of the originally reported structure, which suggests the natural product requires revision. Moiety ; Isomerization ; Total synthesis ; Propanediol ; Derivative (finance) ; Chemistry ; Natural product ; Stereochemistry ; Alkaloid ; Organic chemistry ; Catalysis Synthesis of Indole Derivatives ; Asymmetric Synthesis and Catalysis ; Alkaloids: synthesis and pharmacology
Authors: Priyanka Sinha | GRACE RATHNAM | Dan Mishmar | JAGAN KARTHICK N.
Source: International Journal of Current Pharmaceutical Research (article, 2023-07-15)
Field: Materials Science — Materials Chemistry

OVERVIEW ON CARBONDOTS As a prospective material for biosensing, drug administration, and bioimaging, carbon dots (C-dots) have grown in popularity due to their outstanding visual characteristics, great biocompatibility, and low cytotoxicity. As a result, there has been a lot of curiosity about the development, characteristics, and potential applications of CDOTs. Based on variations in precursors and methods of preparation, CDOTs were divided into two classes. The procedure for the formation of CDots was outlined, and their luminescence process was investigated. Also presented were CDOTs' uses in biosensing, medication administration, and bioimaging. For their continued development, CDOTs' challenges and challenges were reviewed. Nanotechnology ; Biosensor ; Biocompatibility ; Curiosity ; Materials science ; Chemistry ; Biology ; Organic chemistry ; Neuroscience Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Faheem Qasim | Muhammad Waseem Ashraf | Shahzadi Tayyaba | Muhammad Imran Tariq | Agustín L. Herrera‐May
Source: Membranes (article, 2023-10-08)
Field: Materials Science — Materials Chemistry

Simulation, Fabrication and Microfiltration Using Dual Anodic Aluminum Oxide Membrane Microfluidic devices have gained subsequent attention due to their controlled manipulation of fluid for various biomedical applications. These devices can be used to study the behavior of fluid under several micrometer ranges within the channel. The major applications are the filtration of fluid, blood filtration and bio-medical analysis. For the filtration of water, as well as other liquids, the micro-filtration based microfluidic devices are considered as potential candidates to fulfill the desired conditions and requirements. The micro pore membrane can be designed and fabricated in such a way that it maximizes the removal of impurities from fluid. The low-cost micro-filtration method has been reported to provide clean fluid for biomedical applications and other purposes. In the work, anodic-aluminum-oxide-based membranes have been fabricated with different pore sizes ranging from 70 to 500 nm. A soft computing technique like fuzzy logic has been used to estimate the filtration parameters. Then, the finite-element-based analysis system software has been used to study the fluid flow through the double membrane. Then, filtration is performed by using a dual membrane and the clogging of the membrane has been studied after different filtration cycles using characterization like a scanning electron microscope. The filtration has been done to purify the contaminated fluid which has impurities like bacteria and protozoans. The membranes have been tested after each cycle to verify the results. The decrease in permeance with respect to the increase in the velocity of the fluid and the permeate volume per unit clearly depicts the removal of containments from the fluid after four and eight cycles of filtration. The results clearly show that the filtration efficiency can be improved by increasing the number of cycles and adding a dual membrane in the micro-fluidic device. The results show the potential of dual anodic aluminum oxide membranes for the effective filtration of fluids for biomedical applications, thereby offering a promising solution to address current challenges. Filtration (mathematics) ; Membrane ; Materials science ; Microfiltration ; Cross-flow filtration ; Microfluidics ; Chromatography ; Chemical engineering ; Nanotechnology ; Chemistry ; Engineering Anodic Oxide Films and Nanostructures ; Microfluidic and Bio-sensing Technologies ; Microfluidic and Capillary Electrophoresis Applications
Authors: Inseok Chae | Luis E. Paniagua-Guerra | Mica L. Pitcher | Roya Koshani | Mengxue Yuan | Yen‐Ting Lin | Jongcheol Lee | Steven E. Perini | Amir Sheikhi | Bladimir Ramos-Alvarado | Michael T. Lanagan | Seong H. Kim
Source: Cellulose (article, 2023-07-15)
Field: Materials Science — Biomaterials

Relaxation dynamics of water in the vicinity of cellulose nanocrystals Aqueous solution ; Cellulose ; Materials science ; Chemical engineering ; Polymer ; Hydrolysis ; Molecule ; Nanocellulose ; Nanoporous ; Polymer chemistry ; Composite material ; Organic chemistry ; Nanotechnology ; Chemistry Advanced Cellulose Research Studies ; Lignin and Wood Chemistry ; Polysaccharides and Plant Cell Walls
Authors: Isaac Martens | Victor Vanpeene | Nikita Vostrov | Steven Leake | Edoardo Zatterin | Jérémie Auvergniot | Jakub Drnec | Marie‐Ingrid Richard | Julie Villanova | Tobias U. Schülli
Source: ChemRxiv (preprint, 2023-06-27)
Field: Materials Science — Surfaces, Coatings and Films

Imaging voids and defects inside Li-ion cathodeLiNi0.6Mn0.2Co0.2O2 single crystals Li-ion battery cathode active materials obtained from different sources or preparation methods often exhibit broadly divergent performance and stability, despite no obvious differences in morphology, purity, and crystallinity. We show how state-of-theart, commercial, nominally single crystalline LiNi0.6Mn0.2Co0.2O2 (NMC-622) particles possess extensive internal nanostructure even in the pristine state. Scanning X-ray diffraction microscopy reveals the presence of interlayer strain gradients and crystal bending attributed to oxygen vacancies. Phase contrast X-ray nano-tomography detects substantial quantities of nano-voids hidden inside the bulk. Crystallinity ; Materials science ; Cathode ; Diffraction ; Ion ; Nanostructure ; Crystallography ; Chemical engineering ; Single crystal ; Phase (matter) ; Nanotechnology ; Chemical physics ; Composite material ; Chemistry ; Optics ; Physical chemistry Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Advancements in Battery Materials
Authors: Suha Altarawneh | Hani M. El‐Kaderi | Alexander J Richard J. | Osama M. Alakayleh | Ibtesam Y. Aljaafreh | Mansour H. Almatarneh | Taher S. Ababneh | Lo′ay A. Al-Momani | Rawan H. Aldalabeeh
Source: Preprints.org (preprint, 2023-10-17)
Field: Materials Science — Polymers and Plastics

Synthesis, Characterization, and Environmental Applications of Novel Per-Fluorinated Organic Polymers with Azo- and Azomethine-Based Linkers via Nucleophilic Aromatic Substitution This study reports the synthesis and characterization of novel per-fluorinated organic polymers with azo- and azomethine-based linkers using nucleophilic aromatic substitution. The polymers reveal variations in the fluorine content via the incorporation of decafluorobiphenyl and hexafluorobenzene linkers, which enhanced their hydrophobic nature. The rich fluorine polymers were slightly soluble in THF and have shown molecular weights between 4886 to 11948 g/mol. All polymers exhibit thermal stability in the range of 350-500°C, with varying thermal stability depending on the fluorine and nitrogen content. Conjugation of the polymers was confirmed through changes in the UV-Vis spectra, with a hypsochromic shift observed in all cases, more pronounced in azo-based fluorinated chains due to H-bonding on the nitrogen sites, chain conformations, and planarity. The optical band gap (Eg) of the polymers was determined from the UV-Vis data, with the Eg values of the azo-based fluorinated polymers being 1 eV higher than those of their corresponding linkers. The cross-linking formation was characterized by porosity measurements, with the azo-based polymer exhibiting the highest surface area of 770 m²/g with a pore volume of 0.35 cm³/g, while the open-chain azomethine-based polymer exhibited the lowest surface area of 285 m²/g with a pore volume of 0.0872 cm³/g. Porous structures with varied hydrophobicities were investigated as adsorbents for separating water-benzene and water-phenol mixtures and selectively binding methane/carbon dioxide gases from the air. The most hydrophobic polymers containing the decafluorbiphenyl linker were suitable for benzene separation, while the best methane uptake values were 6.14 and 3.46 mg/g for DAB-Z-1O and DAB-A-1O, respectively. DAB-Z-1h, with the highest surface area and rich in nitrogen sites, exhibited the highest CO₂ uptake at 298 K (17.25). Polymer ; Hypsochromic shift ; Thermal stability ; Nucleophilic aromatic substitution ; Chemistry ; Polymer chemistry ; Nucleophilic substitution ; Polymerization ; Materials science ; Organic chemistry ; Fluorescence Synthesis and properties of polymers ; Per- and polyfluoroalkyl substances research ; Membrane Separation and Gas Transport
Authors: Thi Vo
Source: AIChE Journal (article, 2023-09-10)
Field: Materials Science — Surfaces, Coatings and Films

A general strategy for designing complex brush architecture using <scp>star‐like</scp> polymeric grafts Abstract Synthetic control over the shape, size, and interactions between nanoscale building blocks remains an open challenge in self‐assembly. Here, we propose to engineer triblock, star‐like polymers to design patterning on nanoparticles. We developed a theory that characterizes the structural organization of grafted polymers as a function of parameters such as grafting density, chain length, block fractions, and core shape/sizes. Stripe‐like patterning and corner/edge patch formation on arbitrarily shaped cores are readily accessible using our framework, all of which can be a priori predicted. Lastly, we employ assembly simulations to show that the resulting particles provide tighter control over structural and orientational orderings during self‐assembly. More importantly, they offer a way to pattern directional interactions that can override face–face alignment tendencies intrinsic to each core geometry. Our theory, therefore, creates a new handle for tuning nanoscale synthesis, enabling designs of complex building blocks that can target novel assemblies for materials fabrication. Nanoscopic scale ; Star (game theory) ; Block (permutation group theory) ; Template ; Enhanced Data Rates for GSM Evolution ; Nanotechnology ; Computer science ; Polymer ; Face (sociological concept) ; Function (biology) ; Star polymer ; Core (optical fiber) ; Materials science ; Topology (electrical circuits) ; Geometry ; Physics ; Engineering ; Artificial intelligence ; Copolymer ; Mathematics Polymer Surface Interaction Studies ; Pickering emulsions and particle stabilization ; Surface Modification and Superhydrophobicity
Authors: Blake Armstrong | Alessandro Silvestri | Raffaella Demichelis | Paolo Raiteri | Julian D. Gale
Source: ChemRxiv (preprint, 2023-01-27)
Field: Materials Science — Biomaterials

Solubility-consistent force field simulations for aqueous metal carbonate systems using GPUs Crystallisation of alkaline earth metal carbonates from water is important for biomineralisation and environmental geochemistry. Here large-scale computer simulations are a useful approach to complement experimental studies by providing atomistic insights and even by quantitatively determining the thermodynamics of individual steps. However, this is dependent on the existence of force field models that are sufficiently accurate while being computationally efficient enough to sample complex systems. Here we introduce a revised force field for aqueous alkaline earth metal carbonates that reproduces both the solubilities of the crystalline anhydrous minerals, as well as the hydration free energies of the ions. The model is also designed to run efficiently on GPUs thereby reducing the cost of such simulations. The performance of the revised force field is compared against previous results for important properties relevant to crystallisation, including ion-pairing and mineral-water interfacial structure and dynamics. Anhydrous ; Aqueous solution ; Force field (fiction) ; Carbonate ; Crystallization ; Solubility ; Alkaline earth metal ; Field (mathematics) ; Molecular dynamics ; Metal ; Metal ions in aqueous solution ; Chemistry ; Materials science ; Chemical physics ; Thermodynamics ; Computational chemistry ; Computer science ; Physical chemistry ; Physics ; Organic chemistry Calcium Carbonate Crystallization and Inhibition ; Groundwater flow and contamination studies ; NMR spectroscopy and applications
Authors: Nicholas Kai Shiang Teo | Bo Fan | Aditya Ardana | San H. Thang
Source:  (preprint, 2023-04-20)
Field: Materials Science — Materials Chemistry

Aggregation-Induced Emission Polymers via Reversible-Deactivation Radical Polymerization Aggregation-Induced Emission (AIE) is a unique phenomenon whereby aggregation of molecules induces fluorescence emission as opposed to the more commonly known Aggregation-Caused Quenching (ACQ). AIE has the potential to be utilized in the large-scale production of AIE-active polymeric materials because of their wide range of practical applications such as stimuli-responsive sensors, biological imaging agents, and drug delivery systems. This is evident from the increasing number of publications over the years since AIE was first discovered. In addition, the ever-growing interest in this field has led many researchers around the world to develop new and creative methods in the design of monomers, initiators and crosslinkers, with the goal of broadening the scope and utility of AIE polymers. One of the most promising approaches to the design and synthesis of AIE polymers is the use of the Reversible-Deactivation Radical Polymerization (RDRP) techniques, which enabled the production of well-controlled AIE materials that are often difficult to achieve by other methods. In this review, a summary of some recent works that utilize RDRP for AIE polymer design and synthesis is presented, including (1) the design of AIE-related monomers, initiators/crosslinkers; the achievements in preparation of AIE polymers using (2) Reversible Addition-Fragmentation Chain Transfer (RAFT) technique; (3) Atom Transfer Radical Polymerization (ATRP) technique; (4) other techniques such as Cu(0)-RDRP technique and Nitroxide-Mediated Polymerization (NMP) technique; (5) the possible applications of these AIE polymers and finally (6) a summary/perspective and the future direction of AIE polymers. Aggregation-induced emission ; Polymer ; Polymerization ; Monomer ; Radical polymerization ; Chemistry ; Nanotechnology ; Raft ; Photochemistry ; Materials science ; Fluorescence ; Organic chemistry ; Physics Luminescence and Fluorescent Materials ; Advanced Polymer Synthesis and Characterization ; Organoboron and organosilicon chemistry
Authors: Sajid Naeem | Arun V. Patil | Ugalal P. Shinde | Abid Ali | Khalid Memon | Mohammed Bavluwala
Source: Journal of Research in Engineering and Applied Sciences (article, 2023-05-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

APPLICATIONS AND ASPECTS OF SUPERCAPACITOR IN IOT DEVICES AS A SUSTAINABLE ENERGY SOURCE Today, the Internet of Things (IoT) is an emerging field of recent technologies. Every field of engineering, technology, and real-time management has IoT applications such as transportation, agriculture, healthcare, manufacturing, wearable, smart grid and energy saving, smart home, smart management systems, etc. Also, AI has captured wide-area applications in the automobile industry, surveillance, security, education, entertainment, gaming, e-commerce, portable devices, robotics, biomedical instruments, etc. Electrical and electronic devices are used in IoT-based applications. They are required efficient energy to operate for a long time effectively. These types of devices required offline and online energy storage devices that charge on time or require less recharge. The supercapacitor has a high capacitor, rapid charging/discharging cyclic rate, cost-effective and eco-friendly. Our objectives are to study supercapacitors for providing energy and power supply backup to IoT devices. Electronic devices mainly operate on dc signals and electrical instruments work on signals. The supercapacitor plays an important role to supply energy which stores an extremely large amount of electrical charge. It is the future of batteries and replaces the old bulk batteries with tiny high-performance flexible sustainable supercapacitors. Supercapacitor ; Backup ; Energy storage ; Computer science ; Embedded system ; Electronics ; Electrical engineering ; Engineering ; Power (physics) Supercapacitor Materials and Fabrication ; Advanced Battery Technologies Research ; Electric and Hybrid Vehicle Technologies