jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Li Zhao | Xiaowan Peng | Chenghua Deng | Jia‐Han Li | Huiyuan Pan | Jin‐Sheng Zou | Bei Liu | Chun Deng | Peng Xiao | Chang‐Yu Sun | Yun‐Lei Peng | Guangjin Chen | Michael J. Zaworotko
Source: Angewandte Chemie (article, 2024-07-02)
Field: Chemistry — Inorganic Chemistry

Exhaled Anesthetic Xenon Regeneration by Gas Separation Using a Metal–Organic Framework with Sorbent‐Sorbate Induced‐Fit Abstract Noble gas xenon (Xe) is an excellent anesthetic gas, but its rarity, high cost and constrained production prohibits wide use in medicine. Here, we have developed a closed‐circuit anesthetic Xe recovery and reusage process with highly effective CO 2 ‐specific adsorbent CUPMOF‐5 that is promising to solve the anesthetic Xe supply problem. CUPMOF‐5 possesses spacious cage cavities interconnected in four directions by confinement throat apertures of ~3.4 Å, which makes it an ideal molecular sieving of CO 2 from Xe, O 2 , N 2 with the benchmark selectivity and high uptake capacity of CO 2 . In situ single‐crystal X‐ray diffraction (SCXRD) and computational simulation solidly revealed the vital sieving role of the confined throat and the sorbent‐sorbate induced‐fit strengthening binding interaction to CO 2 . CUPMOF‐5 can remove 5 % CO 2 even from actual moist exhaled anesthetic gases, and achieves the highest Xe recovery rate (99.8 %) so far, as verified by breakthrough experiments. This endows CUPMOF‐5 great potential for the on‐line CO 2 removal and Xe recovery from anesthetic closed‐circuits. Sorbent ; Xenon ; Chemistry ; Anesthetic ; Regeneration (biology) ; Metal-organic framework ; Organic chemistry ; Adsorption ; Anesthesia ; Medicine Metal-Organic Frameworks: Synthesis and Applications ; Anesthesia and Neurotoxicity Research ; Gas Sensing Nanomaterials and Sensors
Authors: Athanasios Kritikos | Ravendra Singh | Fernando J. Muzzio | George Tsilomelekis
Source: Processes (article, 2024-06-20)
Field: Chemistry — Spectroscopy

Inverse Method-Based Kinetic Modelling and Process Optimization of Reverse-Phase Chromatography for Molnupiravir Synthesis Our research addresses the shift towards continuous manufacturing in the pharmaceutical industry, focusing on optimizing chromatographic separation for the synthesis of molnupiravir. Using an inverse method with six different inlet concentrations for a single objective function, we systematically evaluated the adsorption of key intermediates, i.e., hydroxylamine and isobutyrate, in an isocratic solvent, determining the relevant isotherm constants. The study systematically evaluates the effects of operational variables, including flowrate, column geometry, dispersivity coefficient, and injection volume, on chromatographic performance. Findings reveal that specific operational adjustments, such as reducing flowrates or altering column dimensions, significantly influence retention times and peak profiles, thus potentially impacting the efficiency of molnupiravir production. Utilizing the inverse method, we efficiently determined equilibrium isotherms by integrating a nonlinear chromatography model and adjusting isotherm parameters to match the observed band profiles. Our research offers critical insights into optimizing chromatographic separation performance through precise operational control, leveraging computational tools for rapid and adaptable drug development. Phase (matter) ; Process (computing) ; Inverse ; Chromatography ; Computer science ; Chemistry ; Mathematics ; Organic chemistry Analytical Chemistry and Chromatography ; Protein purification and stability ; Computational Drug Discovery Methods
Authors: Daniel M. Zelele
Source: Recent Contributions to Physics (article, 2024-03-01)
Field: Materials Science — Materials Chemistry

Electrochemical synthesis and functional properties of metal and alloy-based composition coatings This work presents a comprehensive review on the electrochemical synthesis and functional properties of metal and alloy-based composition coatings. Nowadays, electrochemical synthesis is considered a versatile and widely used technique for producing metal and alloy coatings with precisely controlled composition, thickness, and microstructure. These coatings offer a variety of functional properties that can enhance the performance and durability of various substrates. It typically involves immersing a substrate (cathode) in an electrolytic solution containing dissolved metal ions. A current is applied between the cathode and an anode, causing the metal ions to be reduced and deposited onto the cathode surface as a coating. The specific properties of the coating, such as composition, thickness, and morphology, can be controlled by various parameters, including electrolyte composition, current density and potential, temperature and pH as well as substrate material and pretreatment. The utilization of electrochemical methods in coating fabrication has gained significant attention due to their efficiency, precision, and environmental friendliness. As such, the focus of this review is on the synthesis processes, structural characterization, and functional properties of coatings comprising various metals and alloys to help understand electrochemical deposition techniques for tailored coatings with enhanced properties for diverse applications by summarizing previous studies. Electrochemistry ; Composition (language) ; Alloy ; Materials science ; Metal ; Metallurgy ; Chemistry ; Electrode ; Physical chemistry Corrosion Behavior and Inhibition ; Electrodeposition and Electroless Coatings
Authors: Barış Altan | Yavuz Selim Ak | A. Coşkun
Source: Usak University Journal of Engineering Sciences (article, 2024-06-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

EXPLORING THE INFLUENCE OF B-SITE DOPANTS ON STRUCTURAL AND MAGNETIC PROPERIES IN La0.8Ag0.2Mn1-XCoxO3 (x: 0 and 0.1) COMPOUNDS This study examines the structural, electrical, magnetic, and magnetocaloric properties of La0.8Ag0.2Mn0.9A0.1O3 (A: Mn, and Co) compounds under doping in the B-site. XRD results show that the compound containing Co ions directly replaced Mn ions in the B-site without forming a secondary phase containing higher metallic Ag impurities. The data obtained using Scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS), the temperature dependence of magnetization (M-T), the magnetic field dependence of magnetization (M-H), and the magnetic entropy change (SM) analysis reveal the effect of the doped element on the magnetic properties of the compounds due to the changes they create in the structural and Mn3+/Mn4+ ratio. It has been determined that the paramagnetic to ferromagnetic transition temperature (Curie temperature, TC) of the La0.8Ag0.2Mn0.9Co0.1O3 (LAMO-Co) is quite lower than the LAMO. Magnetic refrigeration ; Magnetization ; Curie temperature ; Ferromagnetism ; Materials science ; Paramagnetism ; Dopant ; Condensed matter physics ; Doping ; Analytical Chemistry (journal) ; Ion ; Crystallography ; Chemistry ; Magnetic field ; Physics Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; Shape Memory Alloy Transformations
Authors: Mei‐Yan Gao | Lunjie Liu | Chenghua Deng | Volodymyr Bon | Bai‐Qiao Song | Sihai Yang⧫ | Martin Schröder | Stefan Kaskel | Michael J. Zaworotko
Source: Angewandte Chemie (article, 2024-06-12)
Field: Chemistry — Inorganic Chemistry

Light and Guest Responsive Behavior in a Porous Coordination Network Enabled by Reversible [2+2] Photocycloaddition Abstract Stimuli‐responsive physisorbents that undergo reversible structural transformations induced by external stimuli (e.g. light, guests, or heat) offer the promise of utility in gas storage and separation. Whereas reports on guest or light‐responsive sorbents have increased in recent years, we are unaware of reports on sorbents that exhibit both light and guest‐induced structural transformations. Herein, we report that the square lattice, sql , topology coordination network Zn(fba)(bis) ⋅ 2DMF ( sql‐5,6‐Zn‐α , 5=trans‐4,4′‐bis(1‐imidazolyl)stilbene=bis, 6=2,2‐bis(4‐carboxyphenyl)hexafluoropropane=H 2 fba) underwent single‐crystal‐to‐single‐crystal transformation (SCSC) upon activation, affording nonporous sql‐5,6‐Zn‐β . Parallel alignment at 3.23 Å of olefinic moieties on adjacent bis ligands in sql‐5,6‐Zn‐α enabled SCSC [2+2] photocycloaddition upon exposure to UV light (365 nm) or sunlight. sql‐5,6‐Zn‐α thereby transformed to mot‐5,6‐Zn‐α , which was subsequently activated to the narrow pore phase mot‐5,6‐Zn‐β . sql‐5,6‐Zn‐β and mot‐5,6‐Zn‐β both exhibited S‐shaped adsorption isotherms characteristic of guest‐induced structural changes when exposed to CO 2 at 195 K (type‐F–IV and type F–I, respectively). Cycling experiments conducted upon sql‐5,6‐Zn‐β reduced particle size after cycle 1 and induced transformation into a rare example of a shape memory coordination network, sql‐5,6‐Zn‐γ . Insight into this smorgasbord of SCSC phase changes was gained from in situ PXRD, single crystal XRD and 1 H NMR spectroscopy experiments. Chemistry ; SQL ; Adsorption ; Crystallography ; Crystal structure ; Crystal engineering ; Topology (electrical circuits) ; Database ; Organic chemistry ; Computer science ; Combinatorics Metal-Organic Frameworks: Synthesis and Applications ; Porphyrin and Phthalocyanine Chemistry ; Magnetism in coordination complexes
Authors: Wanghua Hu | Jinbo Shen | Tao Wang | Zishun Li | Zhuokai Xu | Zhefeng Lou | Haoyu Qi | Junjie Yan | Jialu Wang | Tian Le | Xiaorui Zheng | Yunhao Lu | Xiao Lin
Source: Small Methods (article, 2024-04-23)
Field: Materials Science — Materials Chemistry

Lithium Ion Intercalation‐Induced Metal‐Insulator Transition in Inclined‐Standing Grown 2D Non‐Layered Cr <sub>2</sub> S <sub>3</sub> Nanosheets Gate-controlled ionic intercalation in the van der Waals gap of 2D layered materials can induce novel phases and unlock new properties. However, this strategy is often unsuitable for densely packed 2D non-layered materials. The non-layered rhombohedral Cr<sub>2</sub>S<sub>3</sub> is an intrinsic heterodimensional superlattice with alternating layers of 2D CrS<sub>2</sub> and 0D Cr<sub>1/3</sub>. Here an innovative chemical vapor deposition method is reported, utilizing strategically modified metal precursors to initiate entirely new seed layers, yields ultrathin inclined-standing grown 2D Cr<sub>2</sub>S<sub>3</sub> nanosheets with edge instead of face contact with substrate surfaces, enabling rapid all-dry transfer to other substrates while ensuring high crystal quality. The unconventional ordered vacancy channels within the 0D Cr<sub>1/3</sub> layers, as revealed by cross-sectional scanning transmission electron microscope, permitting the insertion of Li<sup>+</sup> ions. An unprecedented metal-insulator transition, with a resistance modulation of up to six orders of magnitude at 300 K, is observed in Cr<sub>2</sub>S<sub>3</sub>-based ionic field-effect transistors. Theoretical calculations corroborate the metallization induced by Li-ion intercalation. This work sheds light on the understanding of growth mechanism, structure-property correlation and highlights the diverse potential applications of 2D non-layered Cr<sub>2</sub>S<sub>3</sub> superlattice. Superlattice ; Materials science ; Intercalation (chemistry) ; Ionic bonding ; van der Waals force ; Heterojunction ; Chemical physics ; Ion ; Condensed matter physics ; Vacancy defect ; Chemical vapor deposition ; Nanotechnology ; Transmission electron microscopy ; Crystallography ; Optoelectronics ; Inorganic chemistry ; Chemistry ; Molecule 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques
Authors: E. Pereira | Marija Mojićević | Cüneyt Erdinç Taş | Eduardo Lanzagorta Garcia | Margaret Brennan Fournet
Source: Polymers (article, 2024-03-02)
Field: Materials Science — Biomaterials

Targeting Bacterial Nanocellulose Properties through Tailored Downstream Techniques Bacterial nanocellulose (BNC) is a biodegradable polysaccharide with unique properties that make it an attractive material for various industrial applications. This study focuses on the strain <i>Komagataeibacter medellinensis</i> ID13488, a strain with the ability to produce high yields of BNC under acidic growth conditions and a promising candidate to use for industrial production of BNC. We conducted a comprehensive investigation into the effects of downstream treatments on the structural and mechanical characteristics of BNC. When compared to alkaline-treated BNC, autoclave-treated BNC exhibited around 78% superior flexibility in average, while it displayed nearly 40% lower stiffness on average. An SEM analysis revealed distinct surface characteristics, indicating differences in cellulose chain compaction. FTIR spectra demonstrated increased hydrogen bonding with prolonged interaction time with alkaline solutions. A thermal analysis showed enhanced thermal stability in alkaline-treated BNC, withstanding temperatures of nearly 300 °C before commencing degradation, compared to autoclaved BNC which starts degradation around 200 °C. These findings provide valuable insights for tailoring BNC properties for specific applications, particularly in industries requiring high purity and specific mechanical characteristics. Nanocellulose ; Degradation (telecommunications) ; Thermal stability ; Bacterial cellulose ; Cellulose ; Materials science ; Chemical engineering ; Autoclave ; Fourier transform infrared spectroscopy ; Composite material ; Pulp and paper industry ; Computer science Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Polysaccharides and Plant Cell Walls
Authors: S. Jothi Arunachalam | R. Saravanan
Source: Indian Journal of Science and Technology (article, 2024-04-03)
Field: Materials Science — Polymers and Plastics

Effect of TiO2 Nano-Filler with Jute/Kenaf/Glass in Tensile and Impact Properties on Fiber Stacking Sequence Objective: The prime goal of this study is to conduct a comprehensive analysis, modelling, and optimization of various independent factors and coming up with a material that suits in structural application in automobile. Method: Composite is prepared using hand lay-up technique. The analysis is carried out through the utilization of the Central Composite Design (CCD) approach. Mathematical models are formulated for ultimate tensile strength and impact resistance, employing the RSM. These factors include fiber orientation, fiber sequence, and filler percentage, with a focus on their influence on mechanical properties. Finding: These models act as valuable tools for the selection of the most favourable independent variables to maximize the mechanical properties related to tensile strength and impact resistance. In conclusion, the experimental findings emphasize that the inclusion of Nano-filler results in an enhancement of 20% and 36% on tensile strength and impact properties respectively. Novelty: TiO2-infused polymers exhibit unparalleled strength and flexibility, promising transformative advancements in this work that can be implemented in aerospace, indoor, automobile, and medical industries. Keywords: Titanium dioxide, Nano­filler, Hybrid composite, Response surface methodology, Epoxy Kenaf ; Filler (materials) ; Ultimate tensile strength ; Materials science ; Stacking ; Composite material ; Fiber ; Sequence (biology) ; Glass fiber ; Chemistry ; Organic chemistry Natural Fiber Reinforced Composites ; Textile materials and evaluations ; Nanocomposite Films for Food Packaging
Authors: Anna L. Ravensburg | Rimantas Bručas | Denis Mušić | Lennart Spode | Gunnar K. Pálsson | Peter Svedlindh | Vassilios Kapaklis
Source: Applied Physics A (article, 2024-01-08)
Field: Materials Science — Materials Chemistry

Epitaxy enhancement in oxide/tungsten heterostructures by harnessing the interface adhesion Abstract The conditions whereby epitaxy is achieved are commonly believed to be mostly governed by misfit strain. We report on a systematic investigation of growth and interface structure of single crystalline tungsten thin films on two different metal oxide substrates, Al $$_{2}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mrow/> <mml:mn>2</mml:mn> </mml:msub> </mml:math> O $$_{3}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mrow/> <mml:mn>3</mml:mn> </mml:msub> </mml:math> ( $$11\bar{2}0$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mn>11</mml:mn> <mml:mover> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>¯</mml:mo> </mml:mrow> </mml:mover> <mml:mn>0</mml:mn> </mml:mrow> </mml:math> ) and MgO (001). We demonstrate that despite a significant mismatch, enhanced crystal quality is observed for tungsten grown on the sapphire substrates. This is promoted by stronger adhesion and chemical bonding with sapphire compared to magnesium oxide, along with the restructuring of the tungsten layers close to the interface. The latter is supported by ab initio calculations using density functional theory. Finally, we demonstrate the growth of magnetic heterostructures consisting of high-quality tungsten layers in combination with ferromagnetic CoFe layers, which are relevant for spintronic applications. Materials science ; Heterojunction ; Sapphire ; Tungsten ; Oxide ; Epitaxy ; Ab initio ; Thin film ; Optoelectronics ; Nanotechnology ; Layer (electronics) ; Metallurgy ; Chemistry ; Optics ZnO doping and properties ; Electronic and Structural Properties of Oxides ; Magnetic properties of thin films
Authors: Tamara Gavrilović | Aleksandar Ćirić | Mina Medić | Zoran Ristić | Jovana Periša | Željka Antić | Miroslav D. Dramićanin
Source: Materials (article, 2024-08-28)
Field: Materials Science — Materials Chemistry

Structure–Dopant Concentration Relations in Europium-Doped Yttrium Molybdate and Peak-Sharpening for Luminescence Temperature Sensing A set of Eu<sup>3+</sup>-doped molybdates, Y<sub>2-</sub>xEuxMo<sub>3</sub>O<sub>12</sub> (x = 0.04; 0.16; 0.2; 0.4; 0.8; 1; 1.6; 2), was synthesized using a solid-state technique and their properties studied as a function of Eu<sup>3+</sup> concentration. X-ray diffraction showed that the replacement of Y<sup>3+</sup> with larger Eu<sup>3+</sup> resulted in a transformation from orthorhombic (low doping concentrations) through tetragonal (high doping concentrations), reaching monoclinic structure for full replacement in Eu<sub>2</sub>Mo<sub>3</sub>O<sub>12</sub>. The intensity of typical Eu<sup>3+</sup> red emission slightly increases in the orthorhombic structure then rises significantly with dopant concentration and has the highest value for the tetragonal Y<sub>2</sub>Mo<sub>3</sub>O<sub>12</sub>:80mol% Eu<sup>3+</sup>. Further, the complete substitution of Y<sup>3+</sup> with Eu<sup>3+</sup> in the case of monoclinic Eu<sub>2</sub>Mo<sub>3</sub>O<sub>12</sub> leads to decreased emission intensity. Lifetime follows a similar trend; it is lower in the orthorhombic structure, reaching slightly higher values for the tetragonal structure and showing a strong decrease for monoclinic Eu<sub>2</sub>Mo<sub>3</sub>O<sub>12</sub>. Temperature-sensing properties of the sample with the highest red Eu<sup>3+</sup> emission, Y<sub>2</sub>Mo<sub>3</sub>O<sub>12</sub>:80mol% Eu<sup>3+</sup>, were analyzed by the luminescence intensity ratio method. For the first time, the peak-sharpening algorithm was employed to separate overlapping peaks in luminescence thermometry, in contrast to the peak deconvolution method. The Sr (relative sensitivity) value of 2.8 % K<sup>-1</sup> was obtained at room temperature. Orthorhombic crystal system ; Monoclinic crystal system ; Tetragonal crystal system ; Luminescence ; Analytical Chemistry (journal) ; Yttrium ; Dopant ; Materials science ; Doping ; Europium ; Molybdate ; Thermoluminescence ; Crystal structure ; Crystallography ; Chemistry ; Oxide Luminescence Properties of Advanced Materials ; Gas Sensing Nanomaterials and Sensors ; Perovskite Materials and Applications
Authors: Hyuk Jae Jang | Jaemin Jeon | Joo Ho Yun | Iqbal Shudha Tasnim | Soyeon Caren Han | Heeyoung Lee | Sungguk An | Seung‐Beom Kang | Dongyeon Kim | Young Min Song
Source: Biomimetics (article, 2024-10-20)
Field: Materials Science — Surfaces, Coatings and Films

Dual-Coated Antireflective Film for Flexible and Robust Multi-Environmental Optoelectronic Applications Artificial antireflective nanostructured surfaces, inspired by moth eyes, effectively reduce optical losses at interfaces, offering significant advantages in enhancing optical performance in various optoelectronic applications, including solar cells, light-emitting diodes, and cameras. However, their limited flexibility and low surface hardness constrain their broader use. In this study, we introduce a universal antireflective film by integrating nanostructures on both sides of a thin polycarbonate film. One side was thinly coated with Al<sub>2</sub>O<sub>3</sub> for its high hardness, enhancing surface durability while maintaining flexibility. The opposite side was coated with SiO<sub>2</sub> to optimize antireflective properties, making the film suitable for diverse environments (i.e., air, water, and adhesives). This dual-coating strategy resulted in a mechanically robust and flexible antireflective film with superior optical properties in various conditions. We demonstrated the universal capabilities of our antireflective film via optical simulations and experiments with the fabricated film in different environments. Anti-reflective coating ; Materials science ; Optoelectronics ; Coating ; Thin film ; Optical coating ; Flexibility (engineering) ; Polycarbonate ; Nanotechnology ; Computer science ; Composite material Optical Coatings and Gratings ; Advanced optical system design ; Photonic and Optical Devices
Authors: Tukur Tsauri Bashir | Zara Hussain | Zainovia Lockman | Lamiaa Z. Mohamed
Source: International Journal of Nanoelectronics and Materials (IJNeaM) (article, 2024-12-27)
Field: Materials Science — Materials Chemistry

Improving Cellular Behaviour of Low Modulus Ti-Alloy by Controlling Anodizing Parameter The behaviour of biomaterial is widely related to its surface characteristics. Studies indicated that rough surfaces enjoy more clinical success and display more bioactivity than their polished counterparts. In line with this and the commanding effect the anodization parameters have on the overall surface roughness, the effects of the anodization parameter on bioactivity of low modulus Ti-13Mo-2Fe were investigated. Two electrodes in fluoride based organic electrolyte anodization process was used at varying anodization potential and time. At lower potential, no current flow and/or nanopores were seen even after 24hr of anodization time. However, by increasing the potential to 60V at a sweep rate of 50mV/s, the field generated was sufficient to form nanotubes (64.11 ± 2.7 nm) with enormous improvement in average surface roughness. The surface was hydrophilic to cell material and promising bioactivity as attested by good bone-forming ability after 28 days of immersion in simulated body fluid (SBF). It can be concluded that, desired surface aimed at enhancing the bioactivity of low modulus Ti alloy can be achieved under suitable anodization conditions. Anodizing ; Materials science ; Alloy ; Titanium alloy ; Modulus ; Metallurgy ; Composite material ; Aluminium Titanium Alloys Microstructure and Properties ; Corrosion Behavior and Inhibition ; Hydrogen embrittlement and corrosion behaviors in metals