jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hervin Maulina | Eri Widianto | Emmistasega Subama | Muhammad Riswan | Cipto Driyo | Dwi Nugraheni Rositawati | Fahrudin Nugroho | Moh. Edi Wibowo | Iman Santoso
Source: Optical Materials (article, 2024-10-19)
Field: Materials Science — Materials Chemistry

Optical properties of CVD-grown multilayer graphene on nickel using spectroscopic ellipsometry Nickel ; Ellipsometry ; Graphene ; Materials science ; Chemical vapor deposition ; Optoelectronics ; Analytical Chemistry (journal) ; Nanotechnology ; Chemical engineering ; Thin film ; Chemistry ; Metallurgy ; Environmental chemistry Graphene research and applications ; Nanowire Synthesis and Applications ; Diamond and Carbon-based Materials Research
Authors: Fatima Zohra Boudjenane | Rachida Rahmani | Youcef Megrouss | Abdelkader Chouaıh | Nadia Benhalima
Source: Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry : (article, 2024-12-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

DFT theoretical calculations on (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene) benzohydrazide as a methylene tetrahydrofolatereductase inhibitor: An in silico study, molecular docking, and molecular dynamics simulations In this study, (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide (HTBH) was theoretically studied. The B3LYP/6-311G (d,p) level of calculation was used to accomplish the optimal molecular geometry, the global reactivity descriptor parameters, Fukui functions, and molecular electrostatic potential (MEP) parameters. The reduced density gradient (RDG) was used to explore the non-covalent interactions in the molecular system. Furthermore, possible nonlinear optical characteristics were explored. These properties include the electric dipole moment, mean polarizability, and first and second hyperpolarizabilities, indicating the intriguing uses of the HTBH in optical systems. The dipole moment of HTBH molecule was calculated to be 6.81 D, while the static second order hyperpolarizabilitywas found to be of 29.86×10-36esu. In addition, the MEP map provides insight into the electrostatic potential distribution within the molecule indicating that most nucleophilicand electrophilic regions are around oxygen atoms and H atom of the hydroxyl group, respectively.Using molecular docking, the inhibitory nature of HTBH against the methylene tetrahydrofolatereductase (NADPH) protein was analyzed. This enzyme involves in folate metabolism, and its inhibition can have implications for various biological processes. Finally, through a detailed molecular dynamics (MD) simulation, we unravel the compound's inhibitory potential and binding characteristics, offering valuable information for developing therapeutic interventions. The binding energies were computed as well by using the MM-PBSA. Polarizability ; Molecular dynamics ; Chemistry ; Methylene ; Dipole ; Computational chemistry ; Hyperpolarizability ; Molecule ; In silico ; Electrophile ; Density functional theory ; Stereochemistry ; Organic chemistry Nonlinear Optical Materials Research ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and biological activity
Authors: Takuo Minato
Source: ChemPlusChem (review, 2024-07-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis Strategies and Structures of Molecular Heterometallic Oxo Clusters Multinuclear heterometallic oxo clusters, composed of two or more different metal cations bridged by oxo ligands, represent an important class of molecular complexes known for their unique magnetic, catalytic, and electrochemical properties resulting from cooperative interactions between the metal cations. If three or more types of metal cations can be arranged as designed, their chemical and physical properties can be precisely and flexibly controlled, potentially creating innovative materials. However, research on hetero-trimetallic and hetero-tetrametallic oxo clusters remains limited. This review presents an interdisciplinary search of multinuclear heterometallic oxo clusters, regardless of the type of ligand, to explain and classify their synthesis strategies and structures. By cataloging crystallographically characterized heterometallic oxo clusters using ligand-per-metal values and synthesis method notations, valuable insights have been gained into effective synthesis methods for the precise arrangement of metal cations. The advantages and disadvantages of one-pot synthesis methods and synthesis strategies for achieving precise structural control of heterometallic oxo clusters are discussed with an emphasis on the prediction of their final structures. The insights from this review are expected to drive the development of synthetic and analytical techniques for the precise synthesis of heterometallic complexes in a predictable way. Nanotechnology ; Chemistry ; Materials science ; Chemical physics Magnetism in coordination complexes ; Polyoxometalates: Synthesis and Applications ; Nanocluster Synthesis and Applications
Source: Biointerface Research in Applied Chemistry (article, 2024-04-15)
Field: Materials Science — Polymers and Plastics

Investigation of Electrical Properties of Strontium Doped Zirconium Oxide Incorporated in Poly (Lactic-Acid) The aim is to investigate the effect of PLA@SrZrO3 nanocomposite films on the electrical characteristics of particle-stabilized PLA, with the ultimate goal of advancing electronic materials. The films were fabricated through a simple casting solvent method using different concentrations of PLA@SrZrO3 nanointegrates. Characterization techniques such as X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) were employed to confirm nanoparticles' effective doping and homogeneous dispersion in the PLA polymer. Fourier Transform Infrared Spectroscopy (FTIR) was used to identify the interaction between SrZrO3 and PLA, while UV-Vis spectroscopy was employed to investigate the optical properties of the synthesized nanocomposites. The XRD analysis revealed improved crystalline characteristics of the nanocomposites with increasing dopant concentration. The FTIR absorption spectra indicated similar characteristics between neat PLA and PLA@SrZrO3 nanocomposites. The UV-visible absorbance of the nanocomposites increased while the transmittance decreased. Furthermore, the study found that the dielectric properties, AC conductivity, and charge dissipation increased with the addition of nanofillers and decreased with increasing frequency. These novel findings contribute to understanding the electrical behavior of PLA@SrZrO3 nanocomposites and provide valuable insights for developing electronic materials. Strontium ; Lactic acid ; Doping ; Zirconium ; Zirconium oxide ; Materials science ; Oxide ; Chemical engineering ; Chemistry ; Metallurgy ; Organic chemistry ; Optoelectronics ; Geology ; Bacteria ; Engineering Synthesis and properties of polymers ; Extraction and Separation Processes ; Polymer Science and Applications
Authors: Francesco Nepa | Silvia Conti | Lorenzo Pimpolari | Elisabetta Dimaggio | Francesco Pieri | Francesca D’Elia | Luana Persano | Gianluca Fiori
Source: IEEE Sensors Journal (article, 2024-09-17)
Field: Materials Science — Polymers and Plastics

An Organic Electrochemical Transistor Fabricated on Waxy-Sublimating Substrates The global demand for zero-waste technologies requires the development of electronic devices with sustainable fabrication processes and (ideally) biodegradable materials and substrates. This article reports on the fabrication and electrical characterization of poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS)-based organic electrochemical transistors (OECTs) on naturally degradable cyclododecane (CDD)-based substrates. The electrical performance of the devices is tested in a closed box flushed with nitrogen gas under ambient and different humidity conditions. The devices exhibit an <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">${I} _{\text {on} }$ </tex-math></inline-formula>/<inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">${I} _{\text {off} }$ </tex-math></inline-formula> of more than <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$10^{{3}}$ </tex-math></inline-formula> and transconductance values up to 300 mS. As a proof of concept of the potential use of the PEDOT:PSS OECTs for biosensing and environmental monitoring, their application as pH sensors is presented. The sensitivity of 2.25 mS/pH and the signal amplification (up to 50 mS) obtained in this study offer a promising perspective that opens to the formulation of strategies for a more responsible approach to the production and recovery processes of electronic platforms, thus contributing to sustainable technological practices. Materials science ; Transistor ; Optoelectronics ; Electrochemistry ; Nanotechnology ; Electrode ; Electrical engineering ; Voltage ; Chemistry ; Engineering Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: Florian Knabl | Nikolaos Kostoglou | Velislava L. Terziyska | Steven J. Hinder | Mark Baker | Étienne Bousser | Claus Rebholz | Christian Mitterer
Source: Nanomaterials (article, 2024-01-12)
Field: Materials Science — Materials Chemistry

Short-Time Magnetron Sputtering for the Development of Carbon–Palladium Nanocomposites In recent nanomaterials research, combining nanoporous carbons with metallic nanoparticles, like palladium (Pd), has emerged as a focus due to their potential in energy, environmental and biomedical fields. This study presents a novel approach for synthesizing Pd-decorated carbons using magnetron sputter deposition. This method allows for the functionalization of nanoporous carbon surfaces with Pd nano-sized islands, creating metal-carbon nanocomposites through brief deposition times of up to 15 s. The present research utilized direct current magnetron sputtering to deposit Pd islands on a flexible activated carbon cloth substrate. The surface chemistry, microstructure, morphology and pore structure were analyzed using a variety of material characterization techniques, including X-ray photoelectron spectroscopy, X-ray diffraction, Raman spectroscopy, gas sorption analysis and scanning electron microscopy. The results showed Pd islands of varying sizes distributed across the cloth's carbon fibers, achieving high-purity surface modifications without the use of chemicals. The synthesis method preserves the nanoporous structure of the carbon cloth substrate while adding functional Pd islands, which could be potentially useful in emerging fields like hydrogen storage, fuel cells and biosensors. This approach demonstrates the possibility of creating high-quality metal-carbon composites using a simple, clean and economical method, expanding the possibilities for future nanomaterial-based applications. Nanoporous ; Materials science ; Nanocomposite ; Sputter deposition ; Nanomaterials ; X-ray photoelectron spectroscopy ; Nanotechnology ; Carbon fibers ; Surface modification ; Chemical engineering ; Substrate (aquarium) ; Carbon nanotube ; Raman spectroscopy ; Sputtering ; Thin film ; Composite material ; Composite number Catalytic Processes in Materials Science ; Supercapacitor Materials and Fabrication ; Nanomaterials for catalytic reactions
Authors: Mahsa Sayed Tabatabaei | F.A. Sayed Tabatabaei | Hamid Reza Moghimi
Source: Bioimpacts (review, 2024-10-27)
Field: Materials Science — Biomaterials

Drug self-delivery systems: A comprehensive review on small molecule nanodrugs Drug self-delivery systems are nanostructures composed of a drug as the main structural unit, having the ability of intracellular trafficking with no additional carrier. In these systems, the drug itself undertakes the functional and structural roles; thereby, the ancillary role of excipients and carrier-related limitations are circumvented and therapeutic effect is achieved at a much lower dose. Such advantages -which are mainly but not exclusively beneficial in cancer treatment- have recently led to an upsurge of research on these systems. Subsequently, various terminologies were utilized to describe them, referring to the same concept with different words. However, not all the systems developed based on the self-delivery approach are introduced using one of these keywords. Using a scoping strategy, this review aims to encompass the systems that have been developed as yet -inspired by the concept of self-delivery- and classify them in a coherent taxonomy. Two main groups are introduced based on the type of building blocks: small molecule-based nanomedicines and self-assembling hybrid prodrugs. Due to the diversity, covering the whole gamut of topics is beyond the scope of a single article, and, inevitably, the latter is just briefly introduced here, whereas the features of the former group are meticulously presented. Depending on whether the drug is merely a carrier for itself or carries a second drug as cargo, two classes of small molecule-based nanomedicines are defined (i.e., pure nanodrugs and carrier-mimicking systems, respectively), each having sub-branches. After introducing each branch and giving some examples, possible strategies for designing each particular system are visually displayed. The resultant mind map can create a macro view of the taken path and its prospects, give a profound insight into opportunities, spark new ideas, and facilitate overcoming obstacles. Taken together, one can foresee a brilliant future for self-delivery systems as a pioneering candidate for the next generation of drug delivery systems. Nanotechnology ; Drug delivery ; Materials science ; Business Nanoparticle-Based Drug Delivery ; Nanomaterials for catalytic reactions ; Supramolecular Self-Assembly in Materials
Authors: Suwarjoyowirayatno Suwarjoyowirayatno | Chusnul Hidayat | Tutik Dwi Wahyuningsih | Retno Indrati
Source: Journal of Applied Biology & Biotechnology (article, 2024-01-01)
Field: Materials Science — Biomaterials

Characterization of acid-soluble collagen from peanut worm (Siphonosoma australe) and its inhibitory activity of cyclooxygenase-2 The aim of this study was to determine the effect of acetic acid extraction time on the physicochemical characteristics of peanut worm collagen and its ability to inhibit cyclooxygenase-2 (COX-2). The peanut worms were subjected to extraction using 0.5 M acetic acid for varying durations, followed by analysis for various physicochemical properties, including yield, protein content, pH, viscosity, molecular weight, amino acid composition, FTIR, and COX-2 inhibitory activity. The results showed that 72 h of extraction time was optimal for collagen production. The peanut worm collagen yields, protein, and pH were 3.55 ± 0.20%, 85.58 ± 0.10%, and 3.61, respectively. The relative viscosity of collagen decreased with increased temperature by 51.35%. Collagen consists of α and β chains with high levels of amino acids such as glutamic acid, arginine, and aspartic acid. SDS-PAGE analysis revealed that peanut worm collagen contained type I collagen. FTIR confirmed the collagen’s triple-helical structure. The COX-2 inhibitor assay showed that collagen inhibited the COX-2 enzyme by 41.12% ± 0.58% (IC50 = 59.9 μg mL–1). Therefore, this peanut worm collagen could serve as a potential substitute for terrestrial mammalian collagen as an ingredient in food, cosmetics, and other industries. In addition, peanut worm collagen can be used as a nutraceutical and medicine to prevent and treat inflammatory diseases. Cyclooxygenase ; Inhibitory postsynaptic potential ; Chemistry ; Biochemistry ; Biology ; Enzyme ; Endocrinology Silk-based biomaterials and applications ; Protein Hydrolysis and Bioactive Peptides ; Collagen: Extraction and Characterization
Authors: Zengxuan Fan | Jana Zimmermann | Lucio Colombi Ciacchi | Michael Fischlschweiger
Source: ACS Macro Letters (article, 2024-07-30)
Field: Chemistry — Spectroscopy

Lattice-Cluster-Theory-Informed Cross-Fractionation Chromatography Revealing Degree of Crystallinity of Single Macromolecular Species The relationship between macromolecular architecture and crystallization properties is a relevant research topic in polymer science and technology. The average degree of crystallinity of disperse polymers is a well-studied quantity and is accessible by various experimental methods. However, how the different macromolecular species contribute to the degree of crystallinity and, in particular, the relationship between a certain macromolecular architecture and the degree of crystallinity are not accessible today, neither experimentally nor theoretically. Therefore, in this work, a lattice cluster theory (LCT)-informed cross-fractionation chromatography (CFC) approach is developed to access the degree of crystallinity of single and nonlinear macromolecular species crystallizing from solution. The method entangles high-throughput experimental data from CFC with the LCT for semicrystalline polymers to predict the degree of crystallinity of polymer species with different molecular weights and branching. The approach is applied to a linear low-density polyethylene (ethylene/1-octene copolymer) and a high-density polyethylene, which have specific and different bivariate distributions. The degree of crystallinity of individual macromolecular species of these polymer samples is calculated, and the predicted average degree of crystallinity is compared with experimental measurements, thus successfully validating the approach. Furthermore, the average segment length between branches is introduced as a characteristic molecular feature of branched polyethylene, and its relationship with the degree of crystallinity of certain species is established. Crystallinity ; Polymer ; Polyethylene ; Crystallization ; Materials science ; Crystallization of polymers ; Branching (polymer chemistry) ; Macromolecule ; Degree (music) ; Polymer architecture ; Chemical engineering ; Polymer chemistry ; Chemical physics ; Chemistry ; Organic chemistry ; Composite material ; Physics Analytical Chemistry and Chromatography ; Phase Equilibria and Thermodynamics ; Crystallization and Solubility Studies
Authors: Shijun Long | Fan Chen | Han Ren | Yali Hu | Chao Chen | Yiwan Huang | Xuefeng Li
Source: Polymers (article, 2024-04-10)
Field: Materials Science — Materials Chemistry

Ion-Cross-Linked Hybrid Photochromic Hydrogels with Enhanced Mechanical Properties and Shape Memory Behaviour Shape-shifting polymers usually require not only reversible stimuli-responsive ability, but also strong mechanical properties. A novel shape-shifting photochromic hydrogel system was designed and fabricated by embedding hydrophobic spiropyran (SP) into double polymeric network (DN) through micellar copolymerisation. Here, sodium alginate (Alg) and poly acrylate-co-methyl acrylate-co-spiropyran (P(SA-<i>co</i>-MA-<i>co</i>-SPMA)) were employed as the first network and the second network, respectively, to realise high mechanical strength. After being soaked in the CaCl<sub>2</sub> solution, the carboxyl groups in the system underwent metal complexation with Ca<sup>2+</sup> to enhance the hydrogel. Moreover, after the hydrogel was exposed to UV-light, the closed isomer of spiropyran in the hydrogel network could be converted into an open zwitterionic isomer merocyanine (MC), which was considered to interact with Ca<sup>2+</sup> ions. Interestingly, Ca<sup>2+</sup> and UV-light responsive programmable shape of the copolymer hydrogel could recover to its original form via immersion in pure water. Given its excellent metal ion and UV light stimuli-responsive and mechanical properties, the hydrogel has potential applications in the field of soft actuators. Photochromism ; Self-healing hydrogels ; Materials science ; Ion ; Shape-memory alloy ; Nanotechnology ; Composite material ; Chemistry ; Polymer chemistry ; Organic chemistry Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications ; Advanced Materials and Mechanics
Authors: Sikander Sultan | Abdul Karim | Nur Umriani Permatasari
Source: Ecological Engineering & Environmental Technology (article, 2024-10-30)
Field: Materials Science — Materials Chemistry

Green Chemistry Biosynthesis of CaO Nanoparticles as Antibacterial Waste Microorganisms in Waters Calcium oxide (CaO) nanoparticles have garnered significant interest in various environmental applications, particularly in water treatment and the control of microbial pollution.This research introduces innovative strategies for water management and waste treatment through the application of advanced technology grounded in nanoscience, utilizing local resources.The primary objective of this study is to synthesize CaO nanoparticles via a green chemistry method, employing a bioreductant derived from the Bitti (Vitex cofassus) plant extract.This green chemistry approach is not only environmentally benign but also effective in producing stable nanoparticles with controlled dimensions.Characterization of the nanoparticles was conducted using X-ray diffraction (XRD) and scanning electron microscopy (SEM) to ascertain their crystal structure, morphology, and particle size.The results indicated that the calcium oxide nanoparticles exhibit a face-centered cubic (FCC) crystal phase, irregular surface morphology, and a spherical shape, with an average particle size of 24.87 nm.The antibacterial efficacy of calcium oxide nanoparticles was evaluated against Escherichia coli, with variations in nanoparticle concentrations of 1%, 3%, and 5%, resulting in average inhibition zone diameters of 9.59 mm, 10.78 mm, and 11.78 mm, respectively.The positive control (Chloramphenicol) demonstrated an inhibition zone of 12.65 mm, while the negative control (sterile water) showed no inhibition (0 mm).Similarly, for Staphylococcus aureus, the inhibition zone diameters with nanoparticle concentrations of 1%, 3%, and 5% were 10.26 mm, 11.15 mm, and 14.15 mm, respectively, with the positive control exhibiting an inhibition zone of 12.82 mm and the negative control showing no inhibition (0 mm).The CaO nanoparticles demonstrated greater efficacy against Staphylococcus aureus compared to Escherichia coli, exhibiting the capability to inhibit and eliminate both bacterial strains.The application of these nanoparticles as antibacterial agents presents a promising approach to effectively mitigate microbial waste in aquatic environments, suggesting their potential use as a solution for environmentally friendly microbial waste treatment. Microorganism ; Green chemistry ; Chemistry ; Biosynthesis ; Nanoparticle ; Environmental chemistry ; Nanotechnology ; Bacteria ; Materials science ; Organic chemistry ; Catalysis ; Biology Advanced Nanomaterials in Catalysis ; Nanoparticles: synthesis and applications
Authors: Yuriy Sukhatskiy | Mariana Shepida | Martyn Sozanskyi | Зеновій Знак
Source: Chemistry & Chemical Technology (article, 2024-09-25)
Field: Chemistry — Analytical Chemistry

Degradation of Congo Red Using Periodate, Activated by Ultrasound and Iron(II) The periodate, activated by the combination of ultrasound and Fe(II), was used for oxidative degradation of an anionic diazo dye of congo red (CR). The effect of the main factors (the initial pH, the molar ratio of CR:KIO4:FeSO4, the amount of Fe(II), and the specific power of ultrasonic cavitation treatment) on its degradation efficiency was analyzed. Periodate ; Congo red ; Degradation (telecommunications) ; Chemistry ; Biochemistry ; Organic chemistry ; Computer science ; Telecommunications Dye analysis and toxicity