jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Iván F. Macías-Quiroga
Source: Data Archiving and Networked Services (DANS) (article, 2021-07-28)
Field: Materials Science — Biomaterials

Bibliometric dataset of pillared clays (PILCs) as retrieved from Scopus and Web of Science databases: research trends The data correspond to metadata retrieved from the main databases (Scopus and WoS) of scientific publications on pillared clays (PILCs) used in chemical and environmental processes from 1980 to 2019. These data allow visualizing the research trends on the use of PILCs in catalytic processes over the last 40 years. The file named "PILCs 1980-2019.csv or PILCs 1980-2019.txt or PILCs 1980-2019.xml" allows text and data mining on the scientific productions of pillared clays. The thesaurus is composed of metadata extracted from the titles, abstracts, authors, affiliations (institutions) and keywords of publications related to PILCs. The data were filtered, standardized, double-counted documents and homonyms (institutions and authors) were removed. Thus, this thesaurus allows text mining to identify lines of research, catalytic uses and environmental applications of pillared clays. The scientific community working on the synthesis and characterization of layered solids, such as clays, can benefit from the information contained in this metadata. The data allow the identification of the most important applications of PILCs, as well as provide information of the scientific production of PILCs over the last four decades. The data also allow scientific mapping such as co-authorship networks, cooperation between countries and continents, authors and institutions that publish the most on pillared clays. In addition, it is possible to identify frequently used keywords, characterization and synthesis techniques, as well as areas of knowledge and journals of major interest on PILCs. Scopus ; Web of science ; Information retrieval ; Database ; Computer science ; World Wide Web ; Data science ; MEDLINE ; Political science Clay minerals and soil interactions
Authors: Haolin Li | S.B. Dong | Na Qin | JianTao Liu | Yaoxiang Yu | Muqing Wu | Zhengqing Zhang | Zhu Chen
Source: Journal of Porous Media (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

On automatically extracting the statistical information of pores in heterogeneous materials from the SEM morphology Heterogeneous materials, whose macroscopic properties largely depend on the distribution, shape, size, and number of internal pores, as well as inhomogeneities and defects, have been widely used in engineering applications. SEM imaging is an effective measure to quantitatively identify the microscopic characteristics of these materials by extracting and analyzing the relevant micro-composition. In this paper, a novel strategy is developed to automatically extract the statistical microscopic information about porous media containing pores of various complex shapes and sizes from SEM images by using the Bwlabel function to detect the connected components and fitting the relevant outlines using a proposed scheme. It is noteworthy that our method can be applied to analyze the pore constitution and extract the statistical information of porous materials with a maximum porosity of 0.3 and improve the integrity and generality of information extraction. The materials' micro-information obtained by this method provides a good support for better simulating the actual performance of materials. Two typical examples are presented to demonstrate our developed strategy. Porous medium ; Computer science ; Porosity ; Biological system ; Measure (data warehouse) ; Materials science ; Function (biology) ; Data mining ; Composite material Machine Learning in Materials Science ; Electron and X-Ray Spectroscopy Techniques ; Medical Image Segmentation Techniques
Authors: Sasaki, Yutaka
Source: Data Archiving and Networked Services (DANS) (article, 2021-05-20)
Field: Materials Science — Materials Chemistry

SC-CoMIcs (Superconductivity Corpus for Materials Infomatics) A corpus of 1000 Materials Informatics abstracts related to superconductivity. Named entities and relations in these text files are separately annotated in *.ann files in the format of the stand-off annotation. Materials Informatics (MI) needs textual datasets to accelerate the studies in this area, but there is no sizable datasets suitable for our superconducting material search. In this respect, we decided to create a new corpus from scratch for MI information extraction. SC-CoMIcs is the corpus that can contribute to the advancement of MI studies, especially in superconductivity. Experiment tools over the dataset can be found at the github linked below. Note that you need to agree with the license displayed here. The set of 1000 MI abstracts are specially permitted to share in the research community under Creative Commons BY-NC 3.0 by Elsevier under a written agreement (#200221-005626). This is the strict condition you MUST obey. NB: There is no difference in the dataset per set from version 1. Comics ; Superconductivity ; Natural language processing ; Linguistics ; Materials science ; Computer science ; Physics ; Condensed matter physics ; Artificial intelligence ; Philosophy Machine Learning in Materials Science ; Advanced Materials Characterization Techniques ; Electron and X-Ray Spectroscopy Techniques
Authors: Edward S. Sherman
Source: Scholarworks (University of Massachusetts Amherst) (article, 2021-10-20)
Field: Materials Science — Polymers and Plastics

Electron microscopy and x-ray diffraction studies of high modulus solid state extruded polyethylene. Polymer Science and Engineering Electron microscope ; Materials science ; Crystallography ; X-ray crystallography ; Solid-state ; X-ray ; Diffraction ; Microscopy ; Polyethylene ; Transmission electron microscopy ; Composite material ; Chemistry ; Optics ; Nanotechnology ; Physics Polymer crystallization and properties ; Fiber-reinforced polymer composites ; Polymer Nanocomposites and Properties
Authors: Sanjay Goswami | Kshama D. Dhobale | Ravindra Wavhale | Barnali Goswami | Shashwat S. Banerjee
Source:  (preprint, 2021-01-06)
Field: Materials Science — Biomaterials

Anti-Cancer Drug Delivery Modeling in Nanomedicine with Combinatorial Image Analysis and Non-Linear Regression Purpose: The field of cancer nanomedicine has made significant progress, but its clinical translation is impeded by many challenges, such as the difficulty in analysing intracellular anticancer drug release by the nanocarriers due to the lack of suitable tools. Here, we propose the development of a combinatorial imaging and analysis technique to evaluate anticancer drug such as doxorubicin HCl (DOX) released by a nanocarrier inside the HCT116 colon cancer cells and its subsequent intracellular accumulation. Procedure: Fluorescent cell images were captured and subjected to combined image analysis and machine learning based procedures to assess and quantify the delivery and retention rate of DOX inside the cancer cells by multifunctional CNT-DOX-Fe3O4nanocarrier. Results: We show that DOX in HCT116 cells was higher for multifunctional CNT-DOX-Fe3O4nanocarrierthan free DOX, indicating efficient and steady release of DOX as well as superior retentive property of the nanocarrier. Initially (1 h and 4 h) the luminance intensity of DOX in the cell cytoplasm delivered by CNT-DOX-Fe3O4nanocarrier was ~0.34 times and ~0.42 times lesser than that of free DOX delivered normally. However, at 24 h and 48 h post treatment the luminance intensity of DOX for CNT-DOX-Fe3O4nanocarrier was ~1.98 times and 1.92 times higher than that of free DOX. Furthermore, the luminance intensity of DOX for CNT-DOX-Fe3O4in the whole cell was ~1.35 times and ~1.62 times higher than that of free DOX at 24h and 48 h, respectively. Conclusions: The high-throughput nature of our image analysis workflow allowed us to automate the process of DOX retention analysis, and enabled us to devise machine learning-based modeling to predict the percentage of anticancer drug retention in cells. The development of models to automatically quantify and predict intra-cellular drug release in cancer cells could benefit personalized treatments by optimizing the design of nanocarriers. Nanocarriers ; Nanomedicine ; Doxorubicin ; Drug delivery ; Cancer cell ; Drug ; Cancer ; Chemistry ; Pharmacology ; Nanotechnology ; Biomedical engineering ; Materials science ; Medicine ; Chemotherapy ; Nanoparticle ; Surgery ; Internal medicine Nanoparticle-Based Drug Delivery ; Radiomics and Machine Learning in Medical Imaging ; Cell Image Analysis Techniques
Authors: Ujwal Shreenag Meda | Shravan S Ranga | Samhita M Kiran
Source: SPAST Abstracts (article, 2021-09-30)
Field: Materials Science — Materials Chemistry

Nanocoatings in the textile industry: Present and Future The concept of textile coatings dates back to ancient times where waterproof fabrics were obtained by smearing animal fat onto their surface. Since then, a variety of materials are coated on textiles for different applications [1]. The objective of coating, in any case, is to either reinforce already existing properties of the given material or to introduce completely novel properties and hence producing a new finished product [2]. A coating is termed nanocoating if it is made of nanomaterials. A few nanomaterials used in textiles may include TiO2, SiO2, Fe2O3, and so on. The addition of nanomaterials leads to high opacity, increase in strength and durability. Nanocoatings also have many advantages over conventional coatings like increased indentation resistance, high elasticity, fast-drying, no shrinkage, high water vapor permeability, etc. Impregnation, cross-linking, and plasma surface activation are some of the methods through which nanomaterials can be incorporated into textiles. Also, the feasibility of such incorporation methods on an industrial scale plays an important role. The stage at which the nanomaterials are incorporated plays an important role in enhancing the properties of the fabric and also has an impact on its price [3]. Hydrophobic/water-repelling and stain-free fabrics are a few examples of textiles with nano-coatings. Nano-coatings also make fabrics antifungal and antibacterial. Few nanomaterials bring antimicrobial/antiviral properties to the fabrics and have gained importance due to the COVID-19 pandemic. The future of Nanocoatings in textiles is massive and very interesting. Few ideas include smart textiles which can be used in AI, robotics, medicine, and even in the dispersion of medicine onto the skin. Intelligent textiles are another class that allows textiles to act according to the surrounding environment. The temperature of the textiles changes according to the requirement to keep the person cool/warm. There is a need to evaluate the environmental impact of these special classes of fabrics during washing, handling and disposal as the nanomaterials may have adverse effects on the ecosystem when it gets into the soil and aquatic bodies [4]. This paper provides an overview of the present status of nanotechnology in the textile industry and its future. Methods of incorporation of nanomaterials onto fabrics, stages at which the nanomaterials should be incorporated, the feasibility of the methods of incorporation on an industrial scale, economic evaluation, and smart textiles are some of the aspects discussed in this paper. Nanomaterials ; Textile ; Materials science ; Coating ; Nanotechnology ; Durability ; Textile industry ; Composite material Nanoparticles: synthesis and applications ; Textile materials and evaluations ; Dyeing and Modifying Textile Fibers
Authors: Amira Ahmed Abd El Khalk | Mohamed Batiha
Source: Egyptian Journal of Chemistry (article, 2021-06-13)
Field: Materials Science — Materials Chemistry

A minireview on Applications of the metal-organic framework and carbon dots in dye photodegradation to protect the aquatic environment from organic pollutants Water is the cornerstone of all life. With cascading warnings of water shortages, treating wastewater to achieve the purity required for various applications ranging from irrigation of crops to its use in drinking water is critical. Both carbon dots and MOFs have attracted intense interest, and many investigations have been raised, especially concerning their function as photocatalysts. The carbon dots show great advantages: biocompatibility, ease of conducting chemical reactions to change the nature of their surface, good colloidal stability, and low cost. These good qualities give both carbon dots and organic metal frames great potential to replace the traditional catalysts currently used in treating water from organic dyes. The applications of metal-organic frameworks (MOFs), which contain photo-active sites, especially ZIF-8, in the field of photocatalysis to remove dyes as water pollutants, have been discussed. The MOFs materials prepared by bonding metal ions with the organic ligands showed superior photoactivity properties to their individual counters. This article summarizes the progress made in preparing carbon dots and summarizing the synthesis methods and emission mechanisms. We envision that the carbon dots will ultimately have significant commercial use and become a strong competitor to some fluorescent materials currently used to treat wastewater. This review provides insights into both basic research and practical applications of carbon dots. Nanotechnology ; Carbon fibers ; Materials science ; Photodegradation ; Wastewater ; Pollutant ; Photocatalysis ; Environmental science ; Environmental engineering ; Catalysis ; Chemistry ; Organic chemistry Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Chaohua Li | Shengpei Su | Bikui Wang | Jijia Zhou
Source: Research Square (preprint, 2021-03-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Efficiently Enhancing Low-dielectric Properties and Chemical Resistances of Addition-cure Liquid Silicone Rubber by Filling With Silicone-modified Eucommia Gum Nanofiller Silicone rubber ; Silicone ; Materials science ; Composite material ; Polymer science Electromagnetic wave absorption materials ; Silicone and Siloxane Chemistry ; Synthesis and properties of polymers
Authors: Jin Hyuk Cho | Soo Young Kim
Source: Ceramist (article, 2021-03-31)
Field: Chemistry — Inorganic Chemistry

Efficient CO2 to X Transformation with Metal Organic Framework Catalysts The high concentration of CO 2 in the atmosphere brings adverse effects on the global climate. Catalysis ; Transformation (genetics) ; Metal-organic framework ; Environmental science ; Materials science ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; CO2 Reduction Techniques and Catalysts
Authors: Julio Lloret‐Fillol | Carla Casadevall | David Pascual | Jordi Aragón | Arnau Call | Alicia Casitas | Irene Casademont‐Reig
Source:  (preprint, 2021-08-23)
Field: Chemistry — Organic Chemistry

Light-Driven Reduction of Aromatic Olefins in Aqueous Media Catalysed by Aminopyridine Cobalt Complexes. A catalytic system based on earth-abundant elements that efficiently hydrogenates aryl olefins using visible light as driving-force and H2O as the sole hydrogen atoms source is reported. The catalytic system involves a robust and well-defined aminopyridine cobalt complex and a heteroleptic Cu photoredox catalyst. The system shows the reduction of styrene in aqueous media with a remarkable selectivity (&gt; 20000) versus water reduction (WR). Reactivity and mechanistic studies support the formation of a [Co-H] intermediate, which reacts as a hydrogen transfer agent (HAT). Synthetically useful deuterium-labelled compounds can be straightforwardly obtained by replacing H2O with D2O and using only catalysts based on earth-abundant elements. Moreover, the dual photocatalytic system and the photocatalytic conditions can be rationally designed to tune the selectivity for aryl olefin vs aryl ketone reduction; not only by changing the structural and electronic properties of the cobalt catalysts, but also by modifying the reduction properties of the light-harvesting system Cobalt ; Catalysis ; Chemistry ; Olefin fiber ; Photocatalysis ; Aryl ; Selectivity ; Styrene ; Aqueous solution ; Ketone ; Aqueous medium ; Photochemistry ; Combinatorial chemistry ; Organic chemistry ; Alkyl ; Copolymer Radical Photochemical Reactions ; Advanced Photocatalysis Techniques ; Nanomaterials for catalytic reactions
Authors: René Lebl | Stephan Bachmann | Paolo Tosatti | Joerg Sedelmeier | Kurt Püntener | Jason D. Williams | C. Oliver Kappe
Source:  (preprint, 2021-06-29)
Field: Chemistry — Organic Chemistry

Catalytic Static Mixer-Enabled Hydrogenation of a Key Fenebrutinib Intermediate: Real-time Analysis for a Stable and Scalable Process Catalytic static mixer (CSM) technology is presented as an industrially-viable solution for an aromatic nitro group reduction in the synthesis of fenebrutinib. Factors effecting catalyst inhibition could be rapidly understood and mitigated by the use of real-time analytics (FT-IR, UHPLC). This facilitated the development of stable and optimal conditions in a system with 4 CSMs positioned inside a thermostated shell-and-tube reactor. Additional care was taken to ensure the control of three key impurities to low levels (&lt; 0.10 area% by offline UHPLC analysis). The optimal conditions (0.4 M concentration, 20 bar, 120 °C, 3.3 equiv H2) were then scaled up to a reactor with 8 CSMs, whereby an improvement in space-time yield was observed. Over 16 h of processing, a stable impurity profile was observed, without metal leaching. Finally, the reaction was performed in a system with 16 CSMs, which also provided an increase in space-time yield (to 26.2 mol/L/h or 6.5 kg/L/h), resulting in 174 g/h throughput, whilst maintaining an excellent impurity profile. Catalysis ; Yield (engineering) ; Scalability ; Impurity ; Analytics ; Throughput ; Leaching (pedology) ; Chemistry ; Materials science ; Chemical engineering ; Computer science ; Process engineering ; Combinatorial chemistry ; Environmental science ; Organic chemistry ; Operating system ; Engineering ; Database Nanomaterials for catalytic reactions ; Innovative Microfluidic and Catalytic Techniques Innovation ; Asymmetric Hydrogenation and Catalysis
Authors: Sarah Jessl | Simon Engelke | Davor Copic | Jeremy J. Baumberg | Michaël De Volder
Source: Apollo (University of Cambridge) (article, 2021-06-14)
Field: Materials Science — Materials Chemistry

Anisotropic Carbon Nanotube Structures with High Aspect Ratio Nanopores for Li-Ion Battery Anodes. Technological advances in membrane technology, catalysis, and electrochemical energy storage require the fabrication of controlled pore structures at ever smaller length scales. It is therefore important to develop processes allowing for the fabrication of materials with controlled submicron porous structures. We propose a combination of colloidal lithography and chemical vapor deposition of carbon nanotubes to create continuous straight pores with diameters down to 100 nm in structures with thicknesses of more than 300 μm. These structures offer unique features, including continuous and parallel pores with aspect ratios in excess of 3000, a low pore tortuosity, good electrical conductivity, and electrochemical stability. We demonstrate that these structures can be used in Li-ion batteries by coating the carbon nanotubes with Si as an active anode material. Materials science ; Carbon nanotube ; Anode ; Nanotechnology ; Fabrication ; Nanopore ; Chemical vapor deposition ; Coating ; Porosity ; Tortuosity ; Electrochemistry ; Battery (electricity) ; Chemical engineering ; Composite material ; Electrode ; Chemistry Carbon Nanotubes in Composites ; Supercapacitor Materials and Fabrication
Authors: Sunidhi Shetty | Naresh Yandrapalli | Kerstin Pinkwart | Dorothee Krafft | Tanja Vidaković‐Koch | Ivan Ivanov | Tom Robinson
Source: ChemRxiv (preprint, 2021-05-19)
Field: Materials Science — Biomaterials

Directed Signaling Cascades in Monodisperse Artificial Eukaryotic Cells The bottom-up assembly of multi-compartment artificial cells that are able to direct biochemical reactions along a specific spatial pathway remains a considerable engineering challenge. In this work, we address this with a microfluidic platform which is able to produce monodisperse multivesicular vesicles (MVVs) to serve as synthetic eukaryotic cells. Using a two-inlet polydimethylsiloxane (PDMS) channel design to co-encapsulate different populations of liposomes we are able to produce lipid-based MVVs in a high-throughput manner and with three separate inner compartments each containing a different enzyme: α-glucosidase, glucose oxidase, and horseradish peroxidase. We demonstrate the ability of these MVVs to carry out directed chemical communication between the compartments via the reconstitution of size-selective membrane pores. Therefore, the signal transduction, which is triggered externally, follows a specific spatial pathway between the compartments. We use this platform to study the effects of enzyme cascade compartmentalization by direct analytical comparison between bulk, one-, two-, and three-compartment systems. This microfluidic strategy to construct complex hierarchical structures is not only suitable to study compartmentation effects on biochemical reactions but is also applicable for developing advanced drug-delivery systems as well as minimal cells in the field of bottom-up synthetic biology. Microfluidics ; Compartmentalization (fire protection) ; Synthetic biology ; Compartment (ship) ; Artificial cell ; Horseradish peroxidase ; Nanotechnology ; Cellular compartment ; Chemistry ; Drug delivery ; Endosome ; Membrane ; Cell biology ; Biophysics ; Enzyme ; Biology ; Biochemistry ; Intracellular ; Materials science ; Computational biology ; Cell Supramolecular Self-Assembly in Materials ; Lipid Membrane Structure and Behavior
Authors: Pérez Andrés
Source: Arrow - TU Dublin (Technological University Dublin) (article, 2021-02-11)
Field: Chemistry — Analytical Chemistry

CHEMICAL EFFECTS OF COLD ATMOSPHERIC PLASMA ON FOOD NUTRIENTS A range of nonthermal techniques have demonstrated process efficacy in ensuring food product safety, extension of shelf-life and in general a retention of key quality attributes. However, various physical, chemical and biochemical effects of nonthermal techniques on both macro and micronutrients are evident, leading to both desirable and undesirable changes in food products. It is important to outline the effects of non-thermal techniques on food chemistry and the associated degradation mechanisms with the treatment of foods. Oxidation is one of the key mechanisms responsible for undesirable effects induced by non-thermal techniques. Degradation of key macromolecules largely depends on the processing conditions employed. Various extrinsic and intrinsiccontrol parameters of high pressure processing, pulsed electric field, ultrasound processing and cold atmospheric plasma on chemistryof processed food is outlined. Nutrient ; Environmental science ; Food science ; Atmospheric sciences ; Chemistry ; Geology Dye analysis and toxicity