jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shaymaa Sansul | Emad͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏͏ Yousif | Khalid Zainulabdeen
Source: Characterization and Application of Nanomaterials (review, 2023-05-06)
Field: Chemistry — Organic Chemistry

A review study of the structure, properties and general application of poly(methyl methacrylate) Poly(methyl methacrylate) (PMMA) is a versatile and widely used polymer that has gained significant attention in various industries due to its unique combination of properties and ease of processing. PMMA, also known as acrylic or plexiglass, is a transparent thermoplastic with exceptional optical clarity, high-impact resistance, and excellent weatherability. This scholarly article endeavors to offer an exhaustive examination of the composition, characteristics, and broad utilization of poly(methyl methacrylate) (PMMA). This study aims to conduct an in-depth analysis of the molecular composition and chemical attributes inherent to PMMA. Furthermore, it intends to examine the mechanical and physical attributes exhibited by PMMA meticulously. Additionally, an exploration of varied methodologies employed in the processing and fabrication of PMMA will be undertaken. The extensive array of applications of PMMA spanning multiple industries will be underscored, followed by a comprehensive discourse on its merits, constraints, contemporary advancements, and prospective avenues. Understanding the properties and applications of PMMA is crucial for engineers, scientists, and professionals working in fields such as automotive, aerospace, medical, and signage, where PMMA finds extensive use. Materials science ; Methyl methacrylate ; Poly(methyl methacrylate) ; CLARITY ; Thermoplastic ; Polymer ; Aerospace ; Automotive industry ; Computer science ; Composite material ; Aerospace engineering ; Copolymer ; Engineering Advanced Polymer Synthesis and Characterization ; Manufacturing Process and Optimization ; Polymer Science and PVC
Authors: Haiyang Wang | Dongxia Zhang | Ruiyin Zhang | Hao Ma | Huimin Zhang | Ruijuan Yao | Miaomiao Liang | Yuzhen Zhao | Zongcheng Miao
Source: ACS Omega (article, 2023-03-22)
Field: Materials Science — Materials Chemistry

Dealloying Synthesis of Bimetallic (Au–Pd)/CeO<sub>2</sub> Catalysts for CO Oxidation The nanorod-structured (Au-Pd)/CeO<sub>2</sub> catalysts with different Au/Pd ratios were prepared from Al-Ce-Au-Pd precursor alloys through combined dealloying and calcination treatment. XRD, SEM, TEM, XPS, Raman spectroscopy, and N<sub>2</sub> adsorption-desorption measurements were applied to test the structure and physicochemical properties of samples. Catalytic evaluation results imply that the (Pd<sub>0.15</sub>-Au<sub>0.15</sub>)/CeO<sub>2</sub> catalyst calcined at 500 °C possesses optimal catalytic activity for CO oxidation when compared with other catalysts with different Au/Pd ratios or (Pd<sub>0.15</sub>-Au<sub>0.15</sub>)/CeO<sub>2</sub> calcined at other temperatures, whose 50% and 99% reaction temperature can be reached as low as 50 and 85 °C, respectively. This superior catalytic property is attributed to their robust nanorod structure and the introduction of noble bimetal Pd and Au, which can construct a nanoscale interface to access fast electron motion, thus enhancing catalytic efficiency. Catalysis ; Bimetallic strip ; Calcination ; Nanorod ; Bimetal ; X-ray photoelectron spectroscopy ; Materials science ; High-resolution transmission electron microscopy ; Chemical engineering ; Raman spectroscopy ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Metallurgy ; Transmission electron microscopy ; Organic chemistry Catalytic Processes in Materials Science ; Nanoporous metals and alloys ; Nanomaterials for catalytic reactions
Authors: Minttu M. Kauppinen | Nathan Daelman | Núria López | Karoliina Honkala
Source: Journal of Catalysis (article, 2023-04-28)
Field: Materials Science — Materials Chemistry

The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2 Single Atom Catalysts (SACs) have shown that the miniaturization of the active site implies new phenomena like dynamic charge transfer between isolated metal atoms and the oxide. To obtain direct proof of this character is challenging, as many experimental techniques provide averaged properties or have limitations with poorly conductive materials, leaving kinetic measurements from catalytic testing as the only reliable reference. Here we present an integrated Density Functional Theory-Microkinetic model including ground and metastable states to address the reactivity of Pt1/CeO2 for CO oxidation. Our results agree with experimentally available kinetic data in the literature and show that CO oxidation activity of Pt1/CeO2 is tunable via the electronic properties of the support. Particularly, samples with higher n-doping via oxygen depletion should be better in CO oxidation, as they help maintain the active state Pt0 of the catalyst. This provides an alternative strategy for tuning the performance of low-temperature oxidations in single-atom catalysts via charge transfer control. Chemistry ; Catalysis ; Oxidation state ; Metastability ; Reactivity (psychology) ; Oxide ; Chemical physics ; Atom (system on chip) ; Density functional theory ; Metal ; Photochemistry ; Physical chemistry ; Nanotechnology ; Computational chemistry ; Materials science ; Organic chemistry Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Electronic and Structural Properties of Oxides
Authors: Jie Kong | Xiaoli Xu | Yixin Ma | Junjian Miao | Xiaojun Bian
Source: Foods (article, 2023-04-19)
Field: Chemistry — Analytical Chemistry

Rapid and Sensitive Detection of Sulfamethizole Using a Reusable Molecularly Imprinted Electrochemical Sensor Efficient methods for monitoring sulfonamides (SAs) in water and animal-source foods are of great importance to achieve environmental safety and protect human health. Here, we demonstrate a reusable and label-free electrochemical sensor for the rapid and sensitive detection of sulfamethizole based on an electropolymerized molecularly imprinted polymer (MIP) film as the recognition layer. To achieve effective recognition, monomer screening among four kinds of 3-substituted thiophenes was performed by computational simulation and subsequent experimental evaluation, and 3-thiopheneethanol was finally selected. MIP synthesis is very fast and green, and can be in situ fabricated on the transducer surface within 30 min in an aqueous solution. The preparation process of the MIP was characterized by electrochemical techniques. Various parameters affecting MIP fabrication and its recognition response were investigated in detail. Under optimized experimental conditions, good linearity in the range of 0.001-10 μM and a low determination limit of 0.18 nM were achieved for sulfamethizole. The sensor showed excellent selectivity, which can distinguish between structurally similar SAs. In addition, the sensor displayed good reusability and stability. Even after 7 days of storage, or being reused 7 times, higher than 90% of the initial determination signals were retained. The practical applicability of the sensor was also demonstrated in spiked water and milk samples at the nM determination level with satisfactory recoveries. Compared to relevant methods for SAs, this sensor is more convenient, rapid, economical, and eco-friendly, and had comparable or even higher sensitivity, which offered a simple and efficient method for SA detection. Molecularly imprinted polymer ; Detection limit ; Materials science ; Reusability ; Electrochemical gas sensor ; Aqueous solution ; Chromatography ; Computer science ; Electrochemistry ; Chemistry ; Selectivity ; Electrode ; Organic chemistry Analytical chemistry methods development ; Pharmacological Effects and Assays ; Advanced biosensing and bioanalysis techniques
Authors: José García‐Torres | Samuele Colombi | Ikraan Mahamed | Diouldé Sylla | Marc Arnau | Jordi Sans | Maria‐Pau Ginebra | Carlos Alemán
Source: ACS Applied Energy Materials (article, 2023-04-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nanocomposite Hydrogels with Temperature Response for Capacitive Energy Storage Functional hydrogels are three-dimensional polymeric networks with potential applicability in the field of wearable electronics. However, hydrogels are often used to develop devices with only one functionality. In this work, a multifunctional hydrogel consisting of poly(3,4-ethylenedioxythiophene) (PEDOT), alginate (Alg), carbon nanoparticles (CNPs), and manganese oxide has been manufactured for devices that can simultaneously store energy (supercapacitor) and sense temperature. The Alg and PEDOT interpenetration allows for obtaining a flexible and electrically conductive hydrogel with an open and interconnected porous structure. The incorporation of CNPs improves electrical conductivity and confers synergies with manganese oxide, which provide energy storage capability. Furthermore, the resistance of the hydrogel varies linearly with the temperature, this behavior being observed consistently and without hysteresis throughout consecutive heating and cooling cycles. Thus, the PEDOT/Alg/CNP/MnO2 hydrogel shows good capacitance (42 mF cm–2), capacitance retention (87%), and good temperature sensitivity (−1.05% °C–1). Materials science ; Supercapacitor ; Self-healing hydrogels ; PEDOT:PSS ; Capacitance ; Energy storage ; Capacitive sensing ; Nanocomposite ; Hysteresis ; Nanotechnology ; Chemical engineering ; Composite material ; Polymer ; Polymer chemistry ; Electrode ; Electrical engineering ; Chemistry Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Vadim Sedov | Artem Martyanov | Arthur Yu. Neliubov | Ivan Tiazhelov | Sergey Savin | Ivan Yu. Eremchev | Maksim Eremchev | Margarita Pavlenko | Soumen Mandal | Victor Ralchenko | А. В. Наумов
Source: Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences (article, 2023-12-04)
Field: Materials Science — Materials Chemistry

Narrowband photoluminescence of Tin-Vacancy colour centres in Sn-doped chemical vapour deposition diamond microcrystals Tin-Vacancy (Sn-V) colour centres in diamond have a spin coherence time in the millisecond range at temperatures of 2 K, so they are promising to be used in diamond-based quantum optical devices. However, the incorporation of large Sn atoms into a dense diamond lattice is a non-trivial problem. The objective of our work is to use microwave plasma-assisted chemical vapour deposition (CVD) to grow Sn-doped diamond with submicron SnO<sub>2</sub> particles as a solid-state source of impurity. Well-faceted diamond microcrystals with sizes of a few micrometres were formed on AlN substrates. The photoluminescence (PL) signal with zero-phonon line (ZPL) peak for Sn-V centre at ≈620 nm was measured at room temperature (RT) and at 7 K. The peak width (full width at half-maximum) was measured to be 1.1-1.7 nm at RT and ≈0.05 nm at 7 K. The observed variations of ZPL shape and position, in particular, narrowing of PL peak at RT and formation of single-line fine structure at low-<i>T</i>, are attributed to strain in the crystallites. The diamond doping with Sn via CVD process offers a new route to from Sn-V colour centre in the bulk of the diamond crystallites. This article is part of the Theo Murphy meeting issue 'Diamond for quantum applications'. Diamond ; Photoluminescence ; Chemical vapor deposition ; Materials science ; Material properties of diamond ; Doping ; Tin ; Crystallite ; Vacancy defect ; Analytical Chemistry (journal) ; Optoelectronics ; Condensed matter physics ; Chemistry ; Composite material ; Physics ; Metallurgy Diamond and Carbon-based Materials Research ; High-pressure geophysics and materials ; Advanced Fiber Laser Technologies
Authors: Kashmitha Muthamma | Basana M. Gouda | Dhanya Sunil | Suresh D. Kulkarni | Anand P.J.
Source: Chemical Papers (article, 2023-03-17)
Field: Materials Science — Materials Chemistry

Water-based fluorescent flexo-ink for security applications Abstract UV-readable fluorescent ink formulations find versatile applications in various fields including information encryption, automated identification systems, security markers and optical devices. In this context , a new bithiophene-based chalcone (BTCF) that exhibits good solution phase and solid-state fluorescence was synthesized as a colourant for formulating an eco-friendly UV fluorescent ink. The molecule demonstrated good thermal stability and photophysical features including intramolecular charge transfer, confirmed through emission studies in THF–hexane mixtures with varying hexane content. The intense greenish yellow solid-state fluorescence emission displayed by BTCF was exploited by using it as a colourant in a water-based fluorescent ink formulation. Further, the ink was used to print a fast-drying solid patch on an UV dull paper substrate using flexography technique. The analysis of colorimetric, densitometric and rub resistance properties of the printed paper samples demonstrated good fluorescence, moderate photostability and good rub resistance, and hence could be used for security printing applications. Graphical abstract Fluorescence ; Inkwell ; Materials science ; Hexane ; Context (archaeology) ; Nanotechnology ; Chemical engineering ; Chemistry ; Chromatography ; Optics ; Composite material Luminescence and Fluorescent Materials ; Advanced biosensing and bioanalysis techniques ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Katarzyna Bryll | Ewelina Kostecka | Mieczysław Scheibe | Renata Dobrzyńska | Tomasz Kostecki | Wojciech Ślączka | Iga Korczyńska
Source: Applied Sciences (article, 2023-05-09)
Field: Materials Science — Polymers and Plastics

Evaluation of Fire Resistance of Polymer Composites with Natural Reinforcement as Safe Construction Materials for Small Vessels In small vessels, for example, yachts, polymer–glass composites are mainly used for their construction. However, the disposal and/or recycling of composite units is very difficult. It is advisable to solve the problem of disposing of post-consumer items as soon as possible. Therefore, alternative, environmentally friendly, but also durable and safe construction materials are being sought. Such materials can be polymer–natural composites, which can be used as a potential material (alternative to polymer–glass composites) for the construction of small vessels. However, its performance properties should be investigated as new construction materials. The possibility of using polymer–hemp composites was assessed in terms of safety, i.e., the fire resistance of these materials. This paper compares selected characteristics that the reaction of composite materials has to fire with glass fiber and hemp fiber reinforcements. During the study, a natural composite reinforced with hemp fabric was investigated. Based on the laboratory test, it was found that this composite showed better susceptibility to energy recycling, with a relatively small deterioration in fire resistance compared to the composite reinforced with glass fiber. This material could therefore be a potential construction material for small vessels if we consider fire resistance in terms of the safety of the vessel’s operation. Composite material ; Materials science ; Fire resistance ; Composite number ; Glass fiber ; Natural fiber ; Environmentally friendly ; Fibre-reinforced plastic ; Polymer Natural Fiber Reinforced Composites ; Structural Behavior of Reinforced Concrete ; Flame retardant materials and properties
Authors: Yuqing Zhang | Zheng Peng | Zhicheng Wang | Yilu Wu | Yuqi Hu | Jiagui Wu | Junbo Yang
Source: Nanomaterials (article, 2023-04-15)
Field: Materials Science — Materials Chemistry

Non-Volatile Reconfigurable Compact Photonic Logic Gates Based on Phase-Change Materials Photonic logic gates have important applications in fast data processing and optical communication. This study aims to design a series of ultra-compact non-volatile and reprogrammable photonic logic gates based on the Sb<sub>2</sub>Se<sub>3</sub> phase-change material. A direct binary search algorithm was adopted for the design, and four types of photonic logic gates (OR, NOT, AND, and XOR) are created using silicon-on-insulator technology. The proposed structures had very small sizes of 2.4 μm × 2.4 μm. Three-dimensional finite-difference time-domain simulation results show that, in the C-band near 1550 nm, the OR, NOT, AND, and XOR gates exhibit good logical contrast of 7.64, 6.1, 3.3, and 18.92 dB, respectively. This series of photonic logic gates can be applied in optoelectronic fusion chip solutions and 6G communication systems. XOR gate ; Logic gate ; Photonics ; Computer science ; Electronic engineering ; Binary number ; Materials science ; Optoelectronics ; Mathematics ; Engineering ; Arithmetic Phase-change materials and chalcogenides ; Photonic and Optical Devices ; Optical Network Technologies
Authors: Amani Cheniour | Eva Davidson | Yann Le Pape | Tara Pandya | Benjamin Collins | B.W. Spencer | Andrew Godfrey | Mehdi Asgari
Source: Nuclear Engineering and Design (article, 2023-02-15)
Field: Materials Science — Materials Chemistry

A structural model of the long-term degradation of the concrete biological shield Shield ; Neutron flux ; Creep ; Rebar ; Materials science ; Electromagnetic shielding ; Finite element method ; Structural engineering ; Structural material ; Neutron ; Composite material ; Engineering ; Nuclear physics ; Geology Nuclear Materials and Properties ; Graphite, nuclear technology, radiation studies ; Radiation Shielding Materials Analysis
Authors: Matthew R. Carbone | Fanchen Meng | Christian Vorwerk | Benedikt Maurer | Fabian Peschel | Xiaohui Qu | Eli Stavitski | Claudia Draxl | John Vinson | Deyu Lu
Source: The Journal of Open Source Software (article, 2023-07-29)
Field: Materials Science — Materials Chemistry

Lightshow: a Python package for generatingcomputational x-ray absorption spectroscopy input files Carbone et al., (2023). Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files. Journal of Open Source Software, 8(87), 5182, https://doi.org/10.21105/joss.05182 Python (programming language) ; Software package ; Computational science ; Computer science ; Software ; Open source ; Computer graphics (images) ; Spectroscopy ; Programming language ; Physics Machine Learning in Materials Science ; Advanced X-ray and CT Imaging ; X-ray Diffraction in Crystallography
Authors: Mounir Gahgah | Ahmed Belaadi | Messaouda Boumaaza | Hassan Alshahrani | Mohammad K. A. Khan
Source: Polymers (article, 2023-06-29)
Field: Materials Science — Polymers and Plastics

Effect of Number of Tests on the Mechanical Characteristics of Agave sisalana Yarns for Composites Structures: Statistical Approach A designer of sustainable biocomposite structures and natural ropes needs to have a high confidence interval (95% CI) for mechanical characteristics data of performance materials, yet qualities for plant-based fibers are very diverse. A comprehensive study of the elements that enhance the performance of biocomposites or sustainable ropes created from vegetable fibers is necessary. The current study included five groups with varying numbers (N) of tests of 20, 40, 60, 80, and 100 on the mechanical characteristics at room temperatures. The purpose of this study was to determine how changing N affects the mechanical properties of sisal yarn. These properties include its strength, Young's modulus, and deformation at rupture. A significance testing program including more than 100 tests was performed. Owing to the heterogeneity of the plant yarn, each group received more than 20 samples at a gauge length (GL) of 100 mm. The tensile strength characteristics of sisal yarns produced a wide range of findings, as is common for natural fibers, necessitating a statistical analysis. Its dispersion was explored and measured using the statistical methods. The Weibull distribution with two parameters and a prediction model with a 95% confidence level for maximum likelihood (ML) and least squares (LS) were used to investigate and quantify its dispersion. Agave ; Composite material ; Materials science ; Peek ; Polymer ; Botany Natural Fiber Reinforced Composites ; Textile materials and evaluations ; Bamboo properties and applications
Authors: Tzanko Doukov | Daniel Herschlag | Filip Yabukarski
Source: Acta Crystallographica Section D Structural Biology (article, 2023-02-27)
Field: Materials Science — Materials Chemistry

Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures X-ray crystallography has been invaluable in delivering structural information about proteins. Previously, an approach has been developed that allows high-quality X-ray diffraction data to be obtained from protein crystals at and above room temperature. Here, this previous work is built on and extended by showing that high-quality anomalous signal can be obtained from single protein crystals using diffraction data collected at 220 K up to physiological temperatures. The anomalous signal can be used to directly determine the structure of a protein, i.e. to phase the data, as is routinely performed under cryoconditions. This ability is demonstrated by obtaining diffraction data from model lysozyme, thaumatin and proteinase K crystals, the anomalous signal from which allowed their structures to be solved experimentally at 7.1 keV X-ray energy and at room temperature with relatively low data redundancy. It is also demonstrated that the anomalous signal from diffraction data obtained at 310 K (37°C) can be used to solve the structure of proteinase K and to identify ordered ions. The method provides useful anomalous signal at temperatures down to 220 K, resulting in an extended crystal lifetime and increased data redundancy. Finally, we show that useful anomalous signal can be obtained at room temperature using X-rays of 12 keV energy as typically used for routine data collection, allowing this type of experiment to be carried out at widely accessible synchrotron beamline energies and enabling the simultaneous extraction of high-resolution data and anomalous signal. With the recent emphasis on obtaining conformational ensemble information for proteins, the high resolution of the data allows such ensembles to be built, while the anomalous signal allows the structure to be experimentally solved, ions to be identified, and water molecules and ions to be differentiated. Because bound metal-, phosphorus- and sulfur-containing ions all have anomalous signal, obtaining anomalous signal across temperatures and up to physiological temperatures will provide a more complete description of protein conformational ensembles, function and energetics. Protein crystallization ; Protein Data Bank ; Diffraction ; Data redundancy ; Synchrotron ; Crystallography ; SIGNAL (programming language) ; Redundancy (engineering) ; X-ray crystallography ; Materials science ; Computational physics ; Physics ; Chemistry ; Protein structure ; Computer science ; Optics ; Nuclear magnetic resonance ; Crystallization ; Thermodynamics Enzyme Structure and Function ; Protein Structure and Dynamics ; Mass Spectrometry Techniques and Applications