jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Chen Yang | Xiaodan Ma | Haiou Guan | Linyang Li | Bowen Fan
Source: Infrared Physics & Technology (article, 2022-06-06)
Field: Chemistry — Analytical Chemistry

A rapid recognition method of Auricularia auricula varieties based on near-infrared spectral characteristics Auricularia ; Near-infrared spectroscopy ; Artificial intelligence ; Pattern recognition (psychology) ; Mathematics ; Pixel ; Computer science ; Biology ; Food science ; Physics ; Optics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Fungal Biology and Applications
Authors: Lele Gao | Zhong Liang | Yongheng Wei | Lei Nie | Lian Li | Hailing Dong | Hui Zhang | Qin Dong | Hengchang Zang
Source: Chemometrics and Intelligent Laboratory Systems (article, 2022-09-17)
Field: Chemistry — Analytical Chemistry

End-point determination of the extraction processes for Stevia rebaudiana Bertoni leaves by near-infrared spectroscopy Stevia rebaudiana ; Stevioside ; Partial least squares regression ; Steviol ; Extraction (chemistry) ; Stevia ; Chemometrics ; Rebaudioside A ; High-performance liquid chromatography ; Principal component analysis ; Mathematics ; Chemistry ; Near-infrared spectroscopy ; Chromatography ; Biological system ; Food science ; Physics ; Statistics ; Biology Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Meat and Animal Product Quality
Authors: Yuta Tsuji | Masataka Yoshida | Takashi Kamachi | Kazunari Yoshizawa
Source: Journal of the American Chemical Society (article, 2022-09-26)
Field: Materials Science — Materials Chemistry

Oxidative Addition of Methane and Reductive Elimination of Ethane and Hydrogen on Surfaces: From Pure Metals to Single Atom Alloys Oxidative addition of CH<sub>4</sub> to the catalyst surface produces CH<sub>3</sub> and H. If the CH<sub>3</sub> species generated on the surface couple with each other, reductive elimination of C<sub>2</sub>H<sub>6</sub> may be achieved. Similarly, H's could couple to form H<sub>2</sub>. This is the outline of nonoxidative coupling of methane (NOCM). It is difficult to achieve this reaction on a typical Pt catalyst surface. This is because methane is overoxidized and coking occurs. In this study, the authors approach this problem from a molecular aspect, relying on organometallic or complex chemistry concepts. Diagrams obtained by extending the concepts of the Walsh diagram to surface reactions are used extensively. C-H bond activation, i.e., oxidative addition, and C-C and H-H bond formation, i.e., reductive elimination, on metal catalyst surfaces are thoroughly discussed from the point of view of orbital theory. The density functional theory method for structural optimization and accurate energy calculations and the extended Hückel method for detailed analysis of crystal orbital changes and interactions play complementary roles. Limitations of monometallic catalysts are noted. Therefore, a rational design of single atom alloy (SAA) catalysts is attempted. As a result, the effectiveness of the Pt<sub>1</sub>/Au(111) SAA catalyst for NOCM is theoretically proposed. On such an SAA surface, one would expect to find a single Pt monatomic site in a sea of inert Au atoms. This is desirable for both inhibiting overoxidation and promoting reductive elimination. Chemistry ; Reductive elimination ; Catalysis ; Oxidative addition ; Density functional theory ; Oxidative coupling of methane ; Computational chemistry ; Monatomic ion ; Atom (system on chip) ; Methane ; Physical chemistry ; Inorganic chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electrocatalysts for Energy Conversion
Authors: Dan Li | Liang Xia | Gongke Li
Source: Chemosensors (article, 2022-11-07)
Field: Materials Science — Materials Chemistry

Recent Progress on the Applications of Nanozyme in Surface-Enhanced Raman Scattering Nanozymes are nanomaterial with natural enzyme-like activity and can catalyze specific reactions for analyte identification and detection. Compared to natural enzymes, they have several benefits, including being steady, low-cost, easy to prepare and store. Based on the promising development of nanozymes in surface-enhanced Raman scattering (SERS), this paper reviews the classification of different types of nanozymes in SERS, including metal-based nanozyme, carbon-based nanozyme, metal-organic framework (MOF)/covalent organic framework (COF)-based nanozyme, and semiconductor-based nanozyme, followed by a detailed overview of their SERS applications in disease diagnosis, food safety, and environmental safety. Finally, this paper discusses the practical shortcomings of nanozymes in SERS applications and makes some suggestions for further research. Nanotechnology ; Raman scattering ; Identification (biology) ; Nanomaterials ; Materials science ; Computer science ; Raman spectroscopy ; Physics Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Zuochen Wang | Chang Liu | Qian Chen
Source: Journal of Crystal Growth (article, 2022-10-30)
Field: Materials Science — Materials Chemistry

In-situ imaging of nucleation and growth of superlattices from nanoscale colloidal nanoparticles Nucleation ; Superlattice ; Nanoparticle ; Crystallization ; Coalescence (physics) ; Nanoscopic scale ; Nanotechnology ; Materials science ; Crystal growth ; Chemical physics ; Chemistry ; Crystallography ; Physics ; Optoelectronics Pickering emulsions and particle stabilization ; Iron oxide chemistry and applications ; Material Dynamics and Properties
Authors: Chonghang Zhao | Lin-Chieh Yu | Kim Kisslinger | Charles Clark | Cheng-Chu Chung | Ruipeng Li | Masafumi Fukuto | Ming Lu | Jianming Bai | Xiaoyang Liu | Hui Zhong | Mingzhao Liu | Sanjit Ghose | Yu‐chen Karen Chen‐Wiegart
Source: Acta Materialia (article, 2022-10-13)
Field: Materials Science — Materials Chemistry

Kinetics and evolution of solid-state metal dealloying in thin films with multimodal analysis Materials science ; Thin film ; Alloy ; Crystallization ; Dissolution ; Lamellar structure ; Chemical engineering ; Microstructure ; Phase (matter) ; Nanotechnology ; Composite material ; Organic chemistry Nanoporous metals and alloys ; Copper-based nanomaterials and applications ; Nanomaterials for catalytic reactions
Authors: Panukorn Sombut | Lena Puntscher | Marlene Atzmueller | Zdeněk Jakub | Michele Reticcioli | Matthias Meier | Gareth S. Parkinson | Cesare Franchini
Source: Topics in Catalysis (article, 2022-06-27)
Field: Materials Science — Materials Chemistry

Role of Polarons in Single-Atom Catalysts: Case Study of Me1 [Au1, Pt1, and Rh1] on TiO2(110) The online version contains supplementary material available at 10.1007/s11244-022-01651-0. Polaron ; Vacancy defect ; Adsorption ; Scanning tunneling microscope ; Oxide ; Density functional theory ; Catalysis ; Atom (system on chip) ; Materials science ; Chemical physics ; Metal ; Electronic structure ; Chemistry ; Physical chemistry ; Computational chemistry ; Nanotechnology ; Crystallography ; Physics ; Organic chemistry Catalytic Processes in Materials Science ; Electronic and Structural Properties of Oxides ; Electrocatalysts for Energy Conversion
Authors: Niloofar Jamshidinia | Fatemeh Mohammadipanah
Source: Food and Environmental Virology (review, 2022-03-09)
Field: Materials Science — Materials Chemistry

Nanomaterial-Augmented Formulation of Disinfectants and Antiseptics in Controlling SARS CoV-2 Viral envelope ; Nanotechnology ; Coronavirus disease 2019 (COVID-19) ; Nanomaterials ; Antiviral drug ; Nanotoxicology ; Chemistry ; Virus ; Biology ; Virology ; Medicine ; Nanoparticle ; Infectious disease (medical specialty) ; Materials science Nanoparticles: synthesis and applications ; SARS-CoV-2 detection and testing ; SARS-CoV-2 and COVID-19 Research
Authors: Alyssa C. Melvin | Melissa M. Reynolds
Source: Frontiers in Physics (article, 2022-06-09)
Field: Chemistry — Inorganic Chemistry

Systematic Exploration of a Catalytic Metal–Organic Framework/Polyurethane Composite for Medical Device Applications: Effects of MOF Particle Size, MOF Loading, and Polymer Concentration on Composite Material Activity The metal–organic framework (MOF) CuBTTri, H 3 [(Cu 4 Cl) 3 (BTTri) 8 ] (where H 3 BTTri = 1,3,5-tris(1 H -1,2,3-triazol-5-yl)benzene), is a promising catalyst for the development of antithrombotic medical device materials via localized nitric oxide (NO) generation from endogenous S -nitrosothiols. This work evaluates the effects of three key parameters of CuBTTri-embedded polyurethane composite materials—MOF preparation/particle size, MOF loading, and polymer concentration—on the rate of NO generation. We discovered that CuBTTri preparation and particle size have a significant impact on NO generation. Specifically, hand-ground MOF particles (0.3 ± 0.1 µm diameter) generate NO at greater rates compared to larger as-prepared, raw MOF particles (0.4 ± 0.2 µm diameter) and smaller, filtered MOF particles (0.2 ± 0.1 µm diameter) for composite materials. This finding contradicts previous research for CuBTTri powder which found that the smaller the particles, the greater the catalytic rate. In examining the effects of MOF loading and polymer concentration, our data show that increasing these parameters generally results in increased rates of NO generation; though thresholds appear to exist in which increasing these parameters results in diminishing returns and impedes NO generation capacity for certain composite formulations. We found that polymer concentration is the key determinant of water absorptivity and statistically significant decreases in water uptake accompany statistically significant increases in NO generation. It was also found that formulations with relatively high MOF loadings and low polymer concentrations or low MOF loadings and high polymer concentrations inhibit the rate of NO generation. In summary, this research provides a framework for more strategic selections of key parameters when fabricating composite materials for medical device applications. Composite number ; Polyurethane ; Polymer ; Materials science ; Particle size ; Particle (ecology) ; Chemical engineering ; Metal-organic framework ; Composite material ; Catalysis ; Oxide ; Chemistry ; Organic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Sulfur Compounds in Biology
Authors: Gurbhej Singh | Amrinder Mehta | Amit Bansal
Source: Journal of Electrochemical Science and Engineering (article, 2022-12-30)
Field: Materials Science — Materials Chemistry

Electrochemical behaviour and biocompatibility of claddings developed using microwave route In recent years many different biomedical implants have been created for prolonged usage within the human body. The number of these implants has been steadily expanding. Mechanical characteristics of biomaterials, such as elastic modulus, hardness, tensile strength, and scratch resistance, are essential for implants. Biomechanical incompatibility is associated with implant fracture brought on by mechanical failure. The materials utilized to replace bone must have mechanical qualities comparable to those of bone. Metallic implants deteriorate due to wear, electrochemical breakdown, or a synergistic mix of the two. Biocompatible materials are used to repair or replace joints, fractured, or otherwise damaged bone. Corrosion is the main factor in hip implant failure. These characteristics also contain several other factors, such as solution factors, geometric factors, metallurgical factors, and mechanical factors. The mechanical properties of the implant materials were most important and had a considerable impact on the process of bone restoration. Metals have the highest tensile strength compared to other materials, followed by polymers and ceramics (except for zirconia). There are several issues with the metallic biomaterial that need to be fixed, including the release of harmful substances during metallic corrosion. Materials science ; Biocompatibility ; Ultimate tensile strength ; Corrosion ; Biomaterial ; Implant ; Scratch ; Composite material ; Biomedical engineering ; Metallurgy ; Nanotechnology ; Surgery ; Medicine Titanium Alloys Microstructure and Properties ; Hydrogen embrittlement and corrosion behaviors in metals ; Orthopaedic implants and arthroplasty
Authors: Ruixiang Qu | Guoqiang Li
Source: Advanced Photonics Research (article, 2022-05-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Design and Applications of Liquid Crystal Biophotonic Sensors for Ion Detection Liquid crystals (LCs) are nanophotonic materials which can interact with light in the molecular scale. While the LCs are widely used in various displays, last decade has witnessed emerging applications of the LCs for nondisplays. Based on the unique stimuli–responsive property and optical property, the applications of the LCs in the field of sensors are widely explored. In addition, ions are widely distributed in nature and bionts, playing critical roles in many physiological activities and ecological cycles. Appropriate amount of ions is beneficial to the human body, while the excess ions can cause irreversible damages. As a result, a variety of LC sensors are proposed to detect the ion concentration in both body fluids and water samples. This article reviews the design principles, applications, and existing problems of the LC ion sensors. The geometries, alignments, and optical signals of the sensors, which can guide the design of the devices, are first discussed. Afterward, two types of LC ion sensors aiming at detecting metal ions and nonmetallic ions, respectively, are illustrated. Finally, the current challenges and potential development directions of the LC ion sensors are introduced briefly. Ion ; Nanotechnology ; Nanoscopic scale ; Materials science ; Variety (cybernetics) ; Metal ions in aqueous solution ; Liquid crystal ; Property (philosophy) ; Computer science ; Optoelectronics ; Chemistry ; Artificial intelligence Liquid Crystal Research Advancements ; Photonic Crystals and Applications ; Semiconductor Lasers and Optical Devices
Authors: C. Degueldre | D.T. Goddard | G. Berhane | Alicia Simpson | Colin Boxall
Source: Journal of Nuclear Materials (article, 2022-02-20)
Field: Materials Science — Materials Chemistry

Simulation of uranium mononitride spent fuel: A crystallographic approach Burnup ; Fission products ; Actinide ; Nitride ; Uranium ; Spent nuclear fuel ; Nuclear fission product ; Solid solution ; Chemistry ; Materials science ; Light-water reactor ; Phase (matter) ; Radiochemistry ; Nuclear chemistry ; Metallurgy ; Nuclear engineering ; Nanotechnology Nuclear Materials and Properties ; Radioactive element chemistry and processing ; Nuclear reactor physics and engineering
Authors: Rittik K. Ghosh | E. Hilario | Chia‐en A. Chang | Leonard J. Mueller | Michael F. Dunn
Source: Frontiers in Molecular Biosciences (review, 2022-09-12)
Field: Materials Science — Materials Chemistry

Allosteric regulation of substrate channeling: Salmonella typhimurium tryptophan synthase The regulation of the synthesis of L-tryptophan (L-Trp) in enteric bacteria begins at the level of gene expression where the cellular concentration of L-Trp tightly controls expression of the five enzymes of the Trp operon responsible for the synthesis of L-Trp. Two of these enzymes, trpA and trpB, form an αββα bienzyme complex, designated as tryptophan synthase (TS). TS carries out the last two enzymatic processes comprising the synthesis of L-Trp. The TS α-subunits catalyze the cleavage of 3-indole D-glyceraldehyde 3'-phosphate to indole and D-glyceraldehyde 3-phosphate; the pyridoxal phosphate-requiring β-subunits catalyze a nine-step reaction sequence to replace the L-Ser hydroxyl by indole giving L-Trp and a water molecule. Within αβ dimeric units of the αββα bienzyme complex, the common intermediate indole is channeled from the α site to the β site via an interconnecting 25 Å-long tunnel. The TS system provides an unusual example of allosteric control wherein the structures of the nine different covalent intermediates along the β-reaction catalytic path and substrate binding to the α-site provide the allosteric triggers for switching the αββα system between the open (T) and closed (R) allosteric states. This triggering provides a linkage that couples the allosteric conformational coordinate to the covalent chemical reaction coordinates at the α- and β-sites. This coupling drives the α- and β-sites between T and R conformations to achieve regulation of substrate binding and/or product release, modulation of the α- and β-site catalytic activities, prevention of indole escape from the confines of the active sites and the interconnecting tunnel, and synchronization of the α- and β-site catalytic activities. Here we review recent advances in the understanding of the relationships between structure, function, and allosteric regulation of the complex found in <i>Salmonella typhimurium.</i> Tryptophan synthase ; Allosteric regulation ; Indole test ; Chemistry ; Tryptophan ; trp operon ; Active site ; Stereochemistry ; Enzyme ; Binding site ; Biochemistry ; ATP synthase ; Operon ; Escherichia coli ; Amino acid ; Gene Enzyme Structure and Function ; Biochemical and Molecular Research ; Protein Structure and Dynamics
Authors: Stevan Armaković | Đorđe Vujić | Boris Brkić
Source: Journal of Molecular Liquids (article, 2022-02-02)
Field: Chemistry — Analytical Chemistry

A computational study of polydimethylsiloxane derivatives as a semi-permeable membrane for in-field identification of naphthenic acids in water using portable mass spectrometry Membrane ; Polydimethylsiloxane ; Chemistry ; Density functional theory ; Molecular dynamics ; Interaction energy ; Computational chemistry ; Naphthenic acid ; Mass spectrometry ; Molecule ; Chemical physics ; Organic chemistry ; Chromatography Petroleum Processing and Analysis ; Mass Spectrometry Techniques and Applications ; Electrochemical Analysis and Applications
Authors: Murillo Romero da Silva | Athos Henrique Plaine | Vitor Eduardo Pinotti | Eric Marchezini Mazzer | Claudemiro Bolfarini
Source: Journal of materials research/Pratt's guide to venture capital sources (review, 2022-11-28)
Field: Materials Science — Materials Chemistry

A review of Gum Metal: Developments over the years and new perspectives Abstract Gum Metals are β-Ti alloys that present only non-toxic elements in their composition, low elastic modulus, good formability, and excellent biocompatibility. The composition of these alloys needs to fulfill some electronic criteria to present their typical properties. In addition, during their processing, Gum Metal must be significantly deformed, which can be obtained by cold rolling or swaging. Over the last years, several new processing routes and alloy compositions have been proposed to meet these requirements, expanding the range of properties for Gum Metal, and increasing their extent of application. Although being relatively new, Gum Metal has been extensively studied. However, there is a lack of a review that encompasses the findings obtained over the years, as well as its future perspectives. This review aims to critically discuss and analyze Gum Metal development, with a special focus on new compositions, processing routes, and applications. Moreover, future perspectives are explored as well. Graphical abstract Swaging ; Materials science ; Formability ; Metallurgy ; Alloy ; Biocompatibility ; Metal Titanium Alloys Microstructure and Properties ; Advanced materials and composites ; Magnesium Alloys: Properties and Applications
Authors: Hardikkumar Jayswal | Jitendra Chaudhari
Source: International Journal of Electrical and Electronics Research (article, 2022-09-30)
Field: Chemistry — Analytical Chemistry

Lime Diseases Detection and Classification Using Spectroscopy and Computer Vision In the agricultural industry, plant diseases and pests pose the greatest risks. Lime is rich 10 source of vitamin C which works as an immunity booster in human body. Because of the late and manually diseases detection in lime causes a vast loss in crop production worldwide. The most common diseases are found in limes are lime canker, lemon scab, brown rot, sooty mould and Armillaria. In this paper we used imaging and non-imaging (spectral based sensing) methods with the combination of machine learning technique to detect the lime canker and sooty mould diseases. Image acquirement, pre-processing, segmentation and classification are all steps in the imaging methodology, which is then followed by feature extraction. In non-imaging methodology a multispectral sensor (Spectrometer) is used with 400 nm to 1000 nm wavelength to detect the diseases. training set and test set ratio is fixed for both techniques are 75% and 25% respectively. When it comes to identifying and classifying lime disease, spectroscopy has a 99% efficiency rating compared to imaging methodology's 96%. Lime ; Multispectral image ; Citrus canker ; Canker ; Imaging spectrometer ; Artificial intelligence ; Computer science ; Remote sensing ; Pattern recognition (psychology) ; Spectrometer ; Materials science ; Horticulture ; Biology ; Optics ; Geography ; Physics Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Advanced Chemical Sensor Technologies
Authors: Antunes Staffolani | Arianna Baldinelli | Gianni Bidini | Francesco Nobili | Linda Barelli
Source: Energies (article, 2022-07-07)
Field: Materials Science — Materials Chemistry

Operando Analysis of Losses in Commercial-Sized Solid Oxide Cells: Methodology Development and Validation The development of decarbonised systems is being fostered by the increasing demand for technological solutions for the energy transition. Solid Oxide Cells are high-efficiency energy conversion systems that are foreseen for commercial development. They exhibit potential power generation and power-to-gas applications, including a reversible operation mode. Long-lasting high performance is essential for guaranteeing the success of the technology; therefore, it is fundamental to provide diagnosis tools at this early stage of development. In this context, operando analysis techniques help detect and identify incipient degradation phenomena to either counteract damage at its origin or correct operando protocols. Frequent switches from the fuel cell to the electrolyser mode add more challenges with respect to durable performance, and deep knowledge of reverse-operation-induced damage is lacking in the scientific and technical literature. Following on from preliminary experience with button cells, in this paper, the authors aim to transfer the methodology to commercial-sized Solid Oxide Cells. On the basis of the experimental evidence collected on planar square cells under dry and wet reactant feed gases, the main contributions to impedance are identified as being charge transfer (f = 103–104 Hz), oxygen surface exchanged and diffusion in bulk LSCF (f = 102–103 Hz), and gas diffusion in the fuel electrode (two peaks, f = 1–100 Hz). The results are validated using the ECM methodology, implementing an LRel(RctQ)GWFLW circuit. Oxide ; Materials science ; Context (archaeology) ; Fuel cells ; Solid oxide fuel cell ; Diffusion ; Process engineering ; Electrical impedance ; Planar ; Electrode ; Nanotechnology ; Computer science ; Chemical engineering ; Electrical engineering ; Chemistry ; Engineering ; Electrolyte ; Thermodynamics ; Physics Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Perovskite Materials and Applications