jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Gen Xie | Henglei Chen | Mao Pei-hong | Guangwen Feng
Source: Journal of Water and Health (article, 2023-07-12)
Field: Chemistry — Inorganic Chemistry

Equilibrium, kinetics and thermodynamics of biosorption of U(VI) by <i>Jonesia quinghaiensis</i> strain ZFSY-01 isolated from the wastewater of a uranium mine The adsorption ability of a native Jonesia quinghaiensis strain ZFSY-01, a microorganism isolated from uranium tailing wastewater, to U(VI) in wastewater under different conditions was studied in this work. The results showed that 391.5 mg U/g and 78.3% of adsorption capacity and efficiency were achieved under an optimum adsorption condition, respectively. Especially, the adsorption capacity of this strain reached the maximum (Q=788.9 mg U/g) under 100 mg/L of strain dosage. Simultaneously, the linear regression coefficients for the used isothermal sorption model indicate that the biosorption process is compatible with the Freundlich isotherm, the Temkin isotherm and the Halsey isotherm model. Based on the fitted kinetic parameters, the data from the experiments fit well with models of pseudo-second-order kinetics and intraparticle diffusion, suggesting that the strain ZFSY-01 immobilized U(VI) by physical and chemical adsorption. In addition, thermodynamic parameters demonstrated that the sequestration of U(VI) by the strain is spontaneous and endothermic. Based on the above analysis, strain ZFSY-01 can effectively remove U(VI) ions from high- or low-concentration uranium-containing wastewater and is expected to become a promising biological adsorbent. Biosorption ; Adsorption ; Sorption ; Uranium ; Freundlich equation ; Endothermic process ; Wastewater ; Chemistry ; Nuclear chemistry ; Isothermal process ; Kinetics ; Diffusion ; Thermodynamics ; Chromatography ; Materials science ; Environmental engineering ; Metallurgy ; Organic chemistry ; Physics ; Environmental science Radioactive element chemistry and processing ; Hydrocarbon exploration and reservoir analysis ; Analytical chemistry methods development
Authors: Diego Bruno Morais | Marina de Lima Fontes | Analú Barros de Oliveira | Paulo Roberto Gabbai‐Armelin | Túlio Morandin Ferrisse | Luiz Fernando Cappa de Oliveira | Fernanda Lourenção Brighenti | Hernane da Silva Barud | Frederico B. De Sousa
Source: Pharmaceutics (article, 2023-07-05)
Field: Materials Science — Biomaterials

Combining Polymer and Cyclodextrin Strategy for Drug Release of Sulfadiazine from Electrospun Fibers This study reports the fabrication of polymeric matrices through electrospinning using polymethyl methacrylate (PMMA) and poly(lactic-co-glycolic acid) (PLGA), biocompatible polymers commonly used in medical systems. These polymers were combined with an antibacterial drug, sulfadiazine sodium salt (SDS) or its supramolecular system formed with hydroxypropyl-β-cyclodextrin (HPβ/CD) at 1:1 molar ratio, aiming to assemble a transdermal drug delivery system. The formation of fibers was confirmed by scanning electron microscopy (SEM), and the fibers' surface properties were analyzed using contact angle and water vapor permeability techniques. Drug release tests and cell viability assays were performed to evaluate the potential toxicity of the material. SEM images demonstrated that the obtained fibers had nanoscale- and micrometer-scale diameters in PLGA and PMMA systems, respectively. The contact angle analyses indicated that, even in the presence of hydrophilic molecules (SDS and HPβCD), PMMA fibers exhibited hydrophobic characteristics, while PLGA fibers exhibited hydrophilic surface properties. These data were also confirmed by water vapor permeability analysis. The drug release profiles demonstrated a greater release of SDS in the PLGA system. Moreover, the presence of HPβCD improved the drug release in both polymeric systems and the cell viability in the PMMA SDS/HPβCD system. In terms of antibacterial activity, all membranes yielded positive outcomes; nevertheless, the PLGA SDS/HPβCD membrane exhibited the most remarkable results, with the lowest microbial load values. Additionally, the pseudo wound healing analysis demonstrated that the PLGA SDS/HPβCD fiber exhibited results similar to the control group. Consequently, these findings exemplify the substantial potential of the obtained materials for use in wound healing applications. Cyclodextrin ; Sulfadiazine ; Chemistry ; Polymer ; Drug ; Polymer science ; Electrospinning ; Silver sulfadiazine ; Pharmacology ; Chromatography ; Organic chemistry ; Antibiotics ; Medicine ; Biochemistry ; Surgery ; Wound healing Electrospun Nanofibers in Biomedical Applications ; Nanomaterials for catalytic reactions ; Graphene and Nanomaterials Applications
Authors: M. Rekaby | A. I. Abou‐Aly | Ahmed M. El‐Khatib
Source: Scientific Reports (article, 2023-10-21)
Field: Materials Science — Materials Chemistry

Preparation and characterization of a novel nanocomposite based on MnCr-layered double oxide and CoFe2O4 spinel ferrite for methyl orange adsorption Herein, the adsorption of methyl orange (MO), a dangerous anionic dye, from an aqueous solution was investigated using a novel magnetic nanocomposite adsorbent. A nanocomposite entitled manganese chromium-layered double oxide/cobalt spinel ferrite, (MnCr)-LDO<sub>5wt.%</sub>/CoFe<sub>2</sub>O<sub>4</sub>, which links the interlayer structural characteristics of layered double oxides (LDOs) with the magnetic properties of spinel ferrites (SFs) was synthesized using the eco-friendly co-precipitation technique. Determination of structural parameters, crystallite size, and micro-strain was done using X-ray diffraction (XRD) analysis. Transmission electron microscopy (TEM) was used to determine grain shape and size. Surface analysis was performed using X-ray photoelectron spectroscopy (XPS) to identify elements and oxidation states present in the prepared nanocomposite. Vibrating sample magnetometer (VSM) was utilized to examine the magnetic characteristic. A comprehensive comparative study about the effectiveness and durability of CoFe<sub>2</sub>O<sub>4</sub> and (MnCr)<sub>5wt.%</sub>/CoFe<sub>2</sub>O<sub>4</sub> as nanoadsorbents for MO was conducted. Numerous variables, including contact time, MO concentration, adsorbent dosage, and pH were tested for their effects on the adsorption removal percentages. The findings showed that the maximum removal percentage was 86.1% for 25 ppm of MO was for 0.1 g/100 mL of (MnCr)-LDO<sub>5wt.%</sub>/CoFe<sub>2</sub>O<sub>4</sub> at pH = 3. Investigations of isotherms and kinetics were conducted under batch conditions. The Langmuir isotherm matched the experimental data, for both nanoadsorbents, quite well due to the homogeneous distribution of active sites. Adsorption kinetics data were found to be compatible with intra-particle diffusion and pseudo-second order models for CoFe<sub>2</sub>O<sub>4</sub> and (MnCr)<sub>5wt.%</sub>/CoFe<sub>2</sub>O<sub>4</sub>, respectively. A total of five adsorption-desorption cycles were performed to determine the prepared adsorbents' recyclable nature. Adsorption ; Spinel ; Materials science ; Nanocomposite ; Crystallite ; X-ray photoelectron spectroscopy ; Chemical engineering ; Langmuir adsorption model ; Methyl orange ; Oxide ; Analytical Chemistry (journal) ; Nuclear chemistry ; Chemistry ; Nanotechnology ; Metallurgy ; Chromatography ; Organic chemistry Magnetic Properties and Synthesis of Ferrites ; Nanomaterials for catalytic reactions ; Iron oxide chemistry and applications
Authors: Angham Tariq Ali | Lekaa K. Abdul Karem
Source: Baghdad Science Journal (article, 2023-08-20)
Field: Materials Science — Materials Chemistry

Biosynthesis, Characterization, Adsorption and Antimicrobial studies of Manganese oxide Nanoparticles Using Punica Granatum Extract تضمن العمل في هذا البحث تحضير اوكسيد المنغنيز النانوي من مستخلص النباتي لقشور الرمان و كبريتات المنغنيز في وسط قاعدي وشخص بطرق مختلفة مثل ؛ FT-IR ، الأشعة فوق البنفسجية المرئية ، الفحص المجهري للقوة الذرية وحيود الأشعة السينية ، المجهر الإلكتروني النافذ ، مجهر المسح الإلكتروني ، مطيافية الأشعة السينية المشتتة للطاقة. في حيود الأشعة السينية ، تم تحديد حجم البلورة باستخدام معادلة ديباي شيرر ، والتي وُجد أنها 30.94 نانومتر. تم امتصاص أيونات المعادن التالية (II)M= Co و Ni و Cu بنجاح باستخدام MnO2 NPs ، وأظهرت النتائج أنه يمكن إزالة أيونات المعادن الثلاثة من الماء في وقت واحد, Ni (II) لديه أعلى معدل امتصاص خلال الفترة الزمنية. كانت كفاءة إزالة أيونات Co ، و Ni ، و Cu أيونات 32.79٪ ، 75.00٪ ، 30.20 ٪. تم اختبار جسيمات MnO2 النانوية ضد نوعين من البكتيريا ونوع واحد من الفطريات بثلاثة تراكيز مختلفة, تمت مقارنة النتائج مع تلك التي تم استخدام المضادات الحيوية مثل أموكسيسيلين وميترونيدازول للمقارنة النتائج. Fourier transform infrared spectroscopy ; Punica ; Nuclear chemistry ; Chemistry ; Spectroscopy ; Scanning electron microscope ; Adsorption ; Ultraviolet visible spectroscopy ; Transmission electron microscopy ; Nanoparticle ; Analytical Chemistry (journal) ; Energy-dispersive X-ray spectroscopy ; Selected area diffraction ; Materials science ; Nanotechnology ; Chromatography ; Chemical engineering ; Organic chemistry Nanoparticles: synthesis and applications
Authors: Sifat Azad Papry | Tarek L. Rashwan | Pulin K. Mondal | Mehran Behazin | Peter Keech | M. Król
Source: Applied Geochemistry (article, 2023-03-09)
Field: Chemistry — Inorganic Chemistry

Investigating bisulfide sorption onto bentonite through laboratory batch experiments Bentonite ; Sorption ; Desorption ; Chemistry ; Radioactive waste ; Chemical engineering ; Spent nuclear fuel ; Environmental chemistry ; Adsorption ; Nuclear chemistry ; Organic chemistry Radioactive element chemistry and processing ; Groundwater flow and contamination studies ; Environmental remediation with nanomaterials
Authors: Adrien Perrichon | Michael Marek Koza | Zach Evenson | B. Frick | F. Demmel | Peter Fouquet | Maths Karlsson
Source: Chemistry of Materials (article, 2023-07-13)
Field: Materials Science — Materials Chemistry

Proton Diffusion Mechanism in Hydrated Barium Indate Oxides We report on quasielastic neutron scattering (QENS) and ab initio molecular dynamics (AIMD) simulations of the mechanism of proton diffusion in the partially and fully hydrated barium indate oxide proton conductors Ba2In2O5(H2O)x (x = 0.30 and 0.92). Structurally, these materials are featured by an intergrowth of cubic and “pseudo-cubic” layers of InO6 octahedra, wherein two distinct proton sites, H(1) and H(2), are present. We show that the main localized dynamics of these protons can be described as rotational diffusion of O–H(1) species and H(2) proton transfers between neighboring oxygen atoms. The mean residence times of both processes are in the order of picoseconds in the two studied materials. For the fully hydrated material, Ba2In2O5(H2O)0.92, we also reveal the presence of a third proton site, H(3), which becomes occupied upon increasing the temperature and serves as a saddle state for the interexchange between H(1) and H(2) protons. Crucially, the occupation of the H(3) site enables long-range diffusion of protons, which is highly anisotropic in nature and occurs through a two-dimensional pathway. For the partially hydrated material, Ba2In2O5(H2O)0.30, the occupation of the H(3) site and subsequent long-range diffusion are not observed, which is rationalized by hindered dynamics of H(2) protons in the vicinity of oxygen vacancies. A comparison to state-of-the-art proton-conducting oxides, such as barium zirconate-based materials, suggests that the generally lower proton conductivity in Ba2In2O5(H2O)x is due to a large occupation of the H(1) and H(2) sites, which, in turn, means that there are few sites available for proton diffusion. This insight suggests that the chemical substitution of indium by cations with higher oxidation states offers a novel route toward higher proton conductivity because it reduces the proton site occupancy while preserving an oxygen-vacancy-free structure. Proton ; Proton transport ; Chemical physics ; Barium ; Diffusion ; Quasielastic neutron scattering ; Crystallography ; Chemistry ; Materials science ; Neutron scattering ; Neutron ; Inorganic chemistry ; Inelastic neutron scattering ; Thermodynamics Advancements in Solid Oxide Fuel Cells ; Advanced Condensed Matter Physics ; High-pressure geophysics and materials
Authors: Sonja Pöyhtäri | Juhani Ruokoja | Eetu‐Pekka Heikkinen | Anne Heikkilä | Tommi Kokkonen | Pekka Tynjälä
Source: Metallurgical and Materials Transactions B (article, 2023-11-14)
Field: Materials Science — Materials Chemistry

Kinetic Analysis of Hydrogen Reduction of Nickel Compounds Abstract A review on the hydrogen reduction kinetics of NiO, NiCO 3, and Ni(OH) 2 hydrogen was conducted, and the most significant experimental values and results were summarized from the past two decades. Isothermal hydrogen reduction experiments of NiO, NiCO 3, and, Ni(OH) 2 experiments were carried out at 300 °C, 400 °C, and 500 °C, and the obtained data were fitted to multiple different solid-state kinetic models in order to compare the suitability of the models. Non-isothermal reduction in H 2 (0 °C $$\to $$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mo>→</mml:mo> </mml:math> 900 °C) showed the decomposition of NiCO 3 at a temperature range of 230 °C to 300 °C and Ni(OH) 2 at 220 °C to 300 °C. The calculated E a values for NiCO 3 , Ni(OH) 2, and NiO varied between 30 and 35, 36 and 37, and 21 and 26 kJ/mol, respectively. Most of the used models were well fitted making the choice of unequivocally the best suitable model difficult and the identification of the mechanism behind the reaction. It was concluded that an increase in temperature accelerates the reduction process, and the reaction rate-controlling mechanism requires more extensive investigation. Non-blocking I/O ; Isothermal process ; Hydrogen ; Kinetics ; Kinetic energy ; Decomposition ; Nickel ; Chemistry ; Thermodynamics ; Atmospheric temperature range ; Materials science ; Analytical Chemistry (journal) ; Physical chemistry ; Physics ; Organic chemistry ; Catalysis Thermal and Kinetic Analysis ; Catalysis and Oxidation Reactions ; Catalysis and Hydrodesulfurization Studies
Authors: Savros Sotiropoulos | Christos Chatzıssavvıdıs | Ioannis E. Papadakis | Victor Kavvadias | Christos Paschalidis | Chrysovalantou Antonopoulou | Antonia Koriki
Source: Horticultural Science (article, 2023-03-10)
Field: Chemistry — Organic Chemistry

Inorganic and organic foliar fertilization in olives The application of nutrient solutions to the foliage of plants is an alternative means to fertilise crops. Foliar fertilisation is used to overcome the disadvantages of soil applications. Variable plant responses to these foliar fertilisation spray solutions have often been described in the literature. However, knowledge about the penetration mechanisms, the role of a leaf-applied inorganic or organic solution, and the results obtained by its application is still limited. The complex character of the factors determining the effects of sprays hinders the development of suitable foliar fertilisation strategies, applicable under variable local conditions and for various plant types. This review describes some basic factors involved in the penetration process of foliar sprays in olive (Olea europaea L.) trees. Chemistry, leaf penetration, and plant nutrition principles will be merged with the aim of clarifying the constraints, opportunities, and future perspectives of sprays to cure olive tree nutrient deficiencies and, hence, both increase the yield and improve the fruit quality. Olea ; Human fertilization ; Agronomy ; Nutrient ; Fertilisation ; Biology ; Environmental science ; Horticulture ; Ecology Edible Oils Quality and Analysis ; Potato Plant Research
Authors: Bing Zhao | Bogdan Karpiak | Md. Anamul Hoque | Pallavi Dhagat | Saroj P. Dash
Source: Journal of Physics D Applied Physics (article, 2023-02-01)
Field: Materials Science — Materials Chemistry

Strong perpendicular anisotropic ferromagnet Fe<sub>3</sub>GeTe<sub>2</sub>/graphene van der Waals heterostructure Abstract Two-dimensional magnets offer a new platform for exploring fundamental properties in van der Waals (vdW) heterostructures and their device applications. Here, we investigated heterostructure devices of itinerant metallic vdW ferromagnet Fe 3 GeTe 2 (FGT) with monolayer chemical vapor deposited graphene. The anomalous Hall effect measurements of FGT Hall-bar devices exhibit robust ferromagnetism with strong perpendicular anisotropy at low temperatures. The electrical transport properties measured in FGT/graphene heterostructure devices exhibit a tunneling transport with weak temperature dependence. We assessed the suitability of such FGT/graphene heterostructures for spin injection and detection and investigated the presence of FGT on possible spin absorption and spin relaxation in the graphene channel. These findings will be useful for engineering spintronic devices based on vdW heterostructures. Heterojunction ; Graphene ; Spintronics ; Ferromagnetism ; Condensed matter physics ; van der Waals force ; Materials science ; Optoelectronics ; Nanotechnology ; Chemistry ; Physics Graphene research and applications ; 2D Materials and Applications ; Topological Materials and Phenomena
Authors: Qi Xie | Sea On Lee | Nitya Vissamsetti | Si‐Kao Guo | Margaret E. Johnson | Stephen D. Fried
Source: Angewandte Chemie International Edition (article, 2023-07-20)
Field: Materials Science — Biomaterials

Secretion‐Catalyzed Assembly of Protein Biomaterials on a Bacterial Membrane Surface Protein-based biomaterials have played a key role in tissue engineering, and additional exciting applications as self-healing materials and sustainable polymers are emerging. Over the past few decades, recombinant expression and production of various fibrous proteins from microbes have been demonstrated; however, the resulting proteins typically must then be purified and processed by humans to form usable fibers and materials. Here, we show that the Gram-positive bacterium Bacillus subtilis can be programmed to secrete silk through its translocon via an orthogonal signal peptide/peptidase pair. Surprisingly, we discover that this translocation mechanism drives the silk proteins to assemble into fibers spontaneously on the cell surface, in a process we call secretion-catalyzed assembly (SCA). Secreted silk fibers form self-healing hydrogels with minimal processing. Alternatively, the fibers retained on the membrane provide a facile route to create engineered living materials from Bacillus cells. This work provides a blueprint to achieve autonomous assembly of protein biomaterials in useful morphologies directly from microbial factories. Secretion ; Bacillus subtilis ; SILK ; Cell biology ; Fibroin ; Secretory protein ; Chemistry ; Translocon ; Nanotechnology ; Membrane ; Materials science ; Membrane protein ; Bacteria ; Biology ; Biochemistry Silk-based biomaterials and applications ; Biochemical and Structural Characterization
Authors: Jingbin Huang | Min Huang | Fang Wang | Zhanyong Wang | Jian Zhang
Source: Materials (article, 2023-04-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Microstructure Optimization and Coercivity Enhancement of Sintered NdFeB Magnet by Grain Boundary Diffusion of Multicomponent Tb60Pr10Cu10Al10Zn10 Films The use of magnetron sputtering film as a diffusion source was recently achieved in the industrial production of important grain-boundary-diffusion magnets. In this paper, the multicomponent diffusion source film is explored to optimize the microstructure of NdFeB magnets and improve their magnetic properties. Multicomponent Tb<sub>60</sub>Pr<sub>10</sub>Cu<sub>10</sub>Al<sub>10</sub>Zn<sub>10</sub> films of 10 μm in thickness and single Tb films of 10 μm in thickness were deposited on commercial NdFeB magnets' surfaces by magnetron sputtering as diffusion sources for grain boundary diffusion. The effects of diffusion on the microstructure and magnetic properties of the magnets were investigated. The coercivity of multicomponent diffusion magnets and single Tb diffusion magnets increased from 11.54 kOe to 18.89 kOe and 17.80 kOe, respectively. The microstructure and element distribution of diffusion magnets were characterized by scanning electron microscope and transmission electron microscopy. The multicomponent diffusion facilitates the infiltration of Tb along grain boundaries, rather than entering the main phase, thereby improving the Tb diffusion utilization. Furthermore, compared to the Tb diffusion magnet, the thicker thin-grain boundary was observed in multicomponent diffusion magnets. This thicker thin-grain boundary can effectively serve as the impetus for the magnetic exchange/coupling between grains. Therefore, the multicomponent diffusion magnets have higher coercivity and remanence. The multicomponent diffusion source has an increased mixing entropy and decreased Gibbs free energy, and it therefore does not easily enter the main phase but is retained in the grain boundary, thus optimizing the microstructure of the diffusion magnet. Our results show that the multicomponent diffusion source is an effective route for fabricating diffusion magnets with high performance. Grain boundary diffusion coefficient ; Coercivity ; Materials science ; Neodymium magnet ; Microstructure ; Magnet ; Grain boundary ; Diffusion ; Sputter deposition ; Remanence ; Metallurgy ; Condensed matter physics ; Composite material ; Nuclear magnetic resonance ; Thin film ; Magnetization ; Sputtering ; Magnetic field ; Thermodynamics ; Nanotechnology ; Electrical engineering ; Physics Magnetic Properties of Alloys ; Magnetic properties of thin films ; Magnetic Properties and Applications
Authors: Gil Alon | Yuval Ben-Haim | Inbal Tuvi‐Arad
Source: Journal of Cheminformatics (article, 2023-11-09)
Field: Chemistry — Physical and Theoretical Chemistry

Continuous symmetry and chirality measures: approximate algorithms for large molecular structures Quantifying imperfect symmetry of molecules can help explore the sources, roles and extent of structural distortion. Based on the established methodology of continuous symmetry and chirality measures, we develop a set of three-dimensional molecular descriptors to estimate distortion of large structures. These three-dimensional geometrical descriptors quantify the gap between the desirable symmetry (or chirality) and the actual one. They are global parameters of the molecular geometry, intuitively defined, and have the ability to detect even minute structural changes of a given molecule across chemistry, including organic, inorganic, and biochemical systems. Application of these methods to large structures is challenging due to countless permutations that are involved in the symmetry operations and have to be accounted for. Our approach focuses on iteratively finding the approximate direction of the symmetry element in the three-dimensional space, and the relevant permutation. Major algorithmic improvements over previous versions are described, showing increased accuracy, reliability and structure preservation. The new algorithms are tested for three sets of molecular structures including pillar[5]arene complexes with Li<sup>+</sup>, C<sub>100</sub> fullerenes, and large unit cells of metal organic frameworks. These developments complement our recent algorithms for calculating continuous symmetry and chirality measures for small molecules as well as protein homomers, and simplify the usage of the full set of measures for various research goals, in molecular modeling, QSAR and cheminformatics. Symmetry (geometry) ; Chirality (physics) ; Computer science ; Algorithm ; Data mining ; Mathematics ; Physics ; Symmetry breaking ; Geometry ; Quantum mechanics ; Spontaneous symmetry breaking ; Explicit symmetry breaking Crystallography and molecular interactions ; Synthesis and Properties of Aromatic Compounds ; Supramolecular Chemistry and Complexes