jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Francis G. VanGessel | Efrem Perry | Salil Mohan | Oliver M. Barham | Mark Cavolowsky
Source: Propellants Explosives Pyrotechnics (article, 2023-10-06)
Field: Materials Science — Materials Chemistry

Natural language processing for knowledge discovery and information extraction from energetics corpora Abstract We present a demonstration of the utility of Natural Language Processing (NLP) for aiding research into energetic materials and associated systems. The NLP method enables machine understanding of textual data, offering an automated route to knowledge discovery and information extraction from energetics text. We apply three established unsupervised NLP models: Latent Dirichlet Allocation, Word2Vec, and the Transformer to a large curated dataset of energetics‐related scientific articles. We demonstrate that each NLP algorithm is capable of identifying energetic topics and concepts, generating a language model which aligns with Subject Matter Expert knowledge. Furthermore, we present a document classification pipeline for energetics text. Our classification pipeline achieves 59–76 % accuracy depending on the NLP model used, with the highest performing Transformer model rivaling inter‐annotator agreement metrics. The NLP approaches studied in this work can identify concepts germane to energetics and therefore hold promise as a tool for accelerating energetics research efforts and energetics material development. Computer science ; Artificial intelligence ; Natural language processing ; Word2vec ; Latent Dirichlet allocation ; Pipeline (software) ; Transformer ; Energetics ; Machine learning ; Topic model ; Physics ; Programming language Machine Learning in Materials Science ; Topic Modeling ; Computational Drug Discovery Methods
Authors: Arun Muthukkumaran | Shrayas Raghunathan | Arjun Ravichandran | Raghunathan Rengaswamy
Source: AIChE Journal (article, 2023-02-08)
Field: Materials Science — Materials Chemistry

Perovskite‐based electrocatalyst discovery and design using word embeddings from retrained <scp>SciBERT</scp> language model Abstract With the ever‐increasing volume of scientific literature, there is a strong need to develop methods that allow rigorous information identification. In this contribution, a state‐of‐the‐art natural language processing (NLP) model was used to select perovskite materials for electrocatalytic applications from literature. This was accomplished by obtaining word embeddings for perovskite materials from the NLP model and subsequently designing downstream tasks to discover perovskite‐based electrocatalyst materials. However, embeddings could be obtained only for materials available in the literature. Consequently, a novel methodology was devised to generate embeddings for newly designed materials. Results from the analysis showed that the computed embeddings could be used to rank materials for their suitability for electrocatalytic applications. Further, the word embeddings were also employed as features in predicting the electrocatalytic activity of perovskite‐based electrocatalysts. The analysis demonstrated that the fidelity of regression models increased when the embeddings were used as features. Electrocatalyst ; Perovskite (structure) ; Fidelity ; Rank (graph theory) ; Word (group theory) ; Computer science ; Identification (biology) ; Artificial intelligence ; Natural language processing ; Chemistry ; Mathematics ; Chemical engineering ; Engineering ; Physical chemistry ; Electrode ; Combinatorics Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Advanced Photocatalysis Techniques
Authors: Laura Lamilla-Tamayo | Felipe Escobar‐Calderón | Milan Skalický
Source: Water (article, 2023-06-12)
Field: Materials Science — Materials Chemistry

Reviewing the Potential of Algae Species as a Green Alternative to Produce Nanoparticles: Findings from a Database Analysis Nanotechnology has seen increased research and implementation in recent decades in numerous applications. Based on the information in the papers, we built a database that included algae species used, biomass pre-processing, main precursors, solvents, production approaches, final size, and possible uses. An analysis of this data revealed a great diversity of algae species investigated for this purpose (68 species of algae and 45 families). The analysis of the strategy plot shows that there are four clusters of themes that are different from each other. Still, some patterns are recognizable, e.g., the general cluster with general methodologies and concepts is in the intersection zone. The second cluster is related to the use of macroalgae, which has had a strong development in the past, but now seems to be less attractive, and the third cluster is on the use of nanoparticles to control bacteria, which seems to be a topic that, although not currently driving the field, could become a major driver if current trends continue. New technological developments should be expected in the near future as NPs synthesis from green renewable sources such as algae poses an alternative to the traditional means in the coming years. Algae ; Cluster (spacecraft) ; Intersection (aeronautics) ; Green algae ; Nanotechnology ; Biomass (ecology) ; Environmental science ; Biochemical engineering ; Computer science ; Geography ; Ecology ; Biology ; Engineering ; Materials science ; Cartography Nanoparticles: synthesis and applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Ana Saret Ortega-Galindo | Lucero Díaz-Peralta | Arturo Galván‐Hernández | Iván Ortega‐Blake | Alejandro P. Riascos | Yareli Rojas-Aguirre
Source: Mundo Nano Revista Interdisciplinaria en Nanociencia y Nanotecnología (article, 2023-05-14)
Field: Materials Science — Biomaterials

Los liposomas en nanomedicina: del concepto a sus aplicaciones clínicas y tendencias actuales en investigación Los liposomas son vesículas artificiales biocompatibles y biodegradables que poseen una estructura con dos compartimentos capaces de albergar moléculas hidrofílicas y lipofílicas, respectivamente. Los liposomas han sido ampliamente investigados durante los últimos veinte años como sistemas de liberación de fármacos, lo cual ha resultado en el desarrollo de diversas tecnologías como liposomas Stealth® y DepoFoam®. Asimismo, han surgido liposomas funcionalizados en su superficie con biomacromoléculas que pueden reconocer blancos biológicos específicos, dando lugar a potenciales terapias de alta selectividad. De igual manera, liposomas que responden a estímulos fisicoquímicos o biológicos y en los que la liberación de un fármaco estaría controlada en función de dicho estímulo. O bien, liposomas que encapsulan 2 o más fármacos, resultando así en terapias de combinación. Los liposomas son las primeras nanomedicinas en alcanzar uso clínico. Actualmente, existen al menos 20 tecnologías liposomales para tratar diversos padecimientos y alrededor de 18 están en fases clínicas de evaluación. La mayoría de liposomas comerciales se utilizan para tratar diferentes tipos de cáncer. Sin embargo, varias formulaciones liposomales para otros padecimientos han mostrado resultados prometedores. En este trabajo revisamos los conceptos básicos sobre liposomas, discutimos los casos de éxito y revisamos aquellas nanoformulaciones que se encuentran en estudios clínicos. Por último, por medio de ciencia de datos, presentamos el panorama actual de la investigación de liposomas en el área de la nanomedicina. Sin duda, los liposomas están y seguirán estando a la vanguardia en el traslado de nanotecnologías en beneficio de la salud de la población. Humanities ; Philosophy ; Physics Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery
Authors: Alexander Ushakov | Yuri Alashkevich | Р. З. Пен | В А Кожухов
Source: BioResources (article, 2023-10-12)
Field: Materials Science — Biomaterials

Factor and cluster analyses of the structure of correlations between high consistency pulp properties during refining and paper strength characteristics This article analyses high-consistency pulp refining using a disk refiner. During the experiment, the size of the gap between the rotor and stator cutters (0.5 to 1.5 mm), rotor speed (2,000 to 2,500 rpm), pulp consistency (10 to 20%), and freeness value (15 to 60 °SR) of the pulp were varied. The refining results were characterised by changes in 10 output parameters: morphological properties of cellulose fibres (average length, width, fibrillation index, water retention value, average kink angle, and coarseness) and the physical and mechanical characteristics of handsheets (breaking length, bursting strength, tearing resistance, and folding endurance). A total of 56 observations were made on the samples. Factor and cluster analysis methods were used to study the structure of correlations between the output parameters. More than 96% of the total dispersion of all output parameters was due to a change in two latent (hidden) factors: the first one was responsible for 79.6% of the dispersion and is presumably identified as the degree of external fibre fibrillation and the second one (16.6% of the dispersion) as fibre flexibility (including coarseness and average kink angle). Materials science ; Tearing ; Pulp (tooth) ; Composite material ; Folding endurance ; Dispersion (optics) ; Consistency (knowledge bases) ; Mathematics ; Geometry ; Optics ; Physics Advanced Cellulose Research Studies ; Material Properties and Processing ; Lignin and Wood Chemistry
Authors: Wencai Zhang | Duanling Li
Source: Frontiers in Materials (article, 2023-01-12)
Field: Materials Science — Polymers and Plastics

Shape memory polymer-based prefabricated components: Design ideas and prospects Shape memory polymers (SMP) are the smart materials that have received the most attention and are the most commonly employed. SMP can be 4D printed to create prefabricated components with transform shapes, properties, or functions under different external excitations. Although smart equipment assembled from these prefabricated components is extensively used in various fields, a systematic overview summary of their design ideas still needs to be provided. This paper briefly analyzes current trends in the design ideas and application of SMP-based prefabricated components. By summarizing two different design ideas: structural combination and material modification, it demonstrates the application of smart equipment assembled from SMP-based prefabricated components in medical, industrial, and aerospace fields. Furthermore, current challenges with both design ideas are discussed. Aerospace ; Smart material ; Computer science ; Shape-memory polymer ; Component (thermodynamics) ; Architectural engineering ; Mechanical engineering ; Shape-memory alloy ; Materials science ; Engineering ; Nanotechnology ; Aerospace engineering ; Artificial intelligence Polymer composites and self-healing ; Advanced Materials and Mechanics ; Advanced Sensor and Energy Harvesting Materials
Authors: Valeria Castelletto | R.M. Kowalczyk | Jani Seitsonen | Ian W. Hamley
Source: ChemBioChem (article, 2023-08-02)
Field: Materials Science — Biomaterials

Tuning the Solution Self‐Assembly of a Peptide‐PEG (Polyethylene Glycol) Conjugate with α‐Cyclodextrin Cyclodextrins are saccharide ring molecules which act as host cavities that can encapsulate small guest molecules or thread polymer chains. We investigate the influence of alpha-cyclodextrin (αCD) on the aqueous solution self-assembly of a peptide-polymer conjugate YYKLVFF-PEG3K previously studied by our group [Castelletto et al., Polym. Chem., 2010, 1, 453-459]. This conjugate comprises a designed amyloid-forming peptide YYKLVFF that contains the KLVFF sequence from Amyloid β peptide, Aβ16-20, along with two aromatic tyrosine residues to enhance hydrophobicity, as well as polyethylene glycol PEG with molar mass 3 kg mol<sup>-1</sup> . The conjugate self-assembles into β-sheet fibrils in aqueous solution. Here we show that complexation with αCD instead generates free-floating nanosheets in aqueous solution (with a β-sheet structure). The nanosheets comprise a bilayer with a hydrophobic peptide core and highly swollen PEG outer layers. The transition from fibrils to nanosheets is driven by an increase in the number of αCD molecules threaded on the PEG chains, as determined by <sup>1</sup> H NMR spectroscopy. These findings point to the use of cyclodextrin additives as a powerful means to tune the solution self-assembly in peptide-polymer conjugates and potentially other polymer/biomolecular hybrids. Polyethylene glycol ; Aqueous solution ; Conjugate ; Peptide ; Chemistry ; PEG ratio ; Self-assembly ; Polymer ; Polymer chemistry ; Cyclodextrin ; Molecule ; Micelle ; Ethylene glycol ; Combinatorial chemistry ; Organic chemistry ; Biochemistry Supramolecular Self-Assembly in Materials ; Chemical Synthesis and Analysis ; Supramolecular Chemistry and Complexes
Authors: Michael Tosin Bayode | Mercy Adewumi Alabi | Tope Abraham Ibisanmi | Ayomide Faith Okiti | Olabisi Omowumi Adebisi | Philemon Olayemi Aro | Ayoola Emmanuel Awode | Oyindamola Sukurat Lawal | Olamide Joshua Babatunde | Gladys Oluwafisayo Adenikinju
Source: Bulletin of the National Research Centre/Bulletin of the National Research Center (article, 2023-08-08)
Field: Chemistry — Physical and Theoretical Chemistry

Isothermal calorimetry calscreener in the metabolism gauge of human malignant neoplastic cells: a burgeoning nexus in cancer biochemical metrology and diagnostics Abstract Background At present, the function of isothermal microcalorimetry (IMC) calscreener in detecting alterations in the metabolic pathways of cancer cells remains unexplored. We disclosed the shortcomings of current screening methods and the need for precise and dependable instruments in the detection and informed treatment of cancer via the IMC in relation to the experimental procedures required to obtain accurate results. Main body of abstract We examined the intricate technical aspects of isothermal calorimetry. The application of the IMC calscreener in cancer research is then discussed in depth, including how it can be used to evaluate the efficacy of treatments, identify metabolic inhibitors, and assess metabolic rates. We also investigated the diagnostic potential of isothermal calorimetry, particularly for early cancer detection and tracing therapy efficacy. Conclusions General findings shed light on the present issues and potential approaches for isothermal calorimetry application in cancer research and diagnosis. We underline the potential for isothermal calorimetry to fundamentally alter how to understand and treat cancer, as well as the need for additional studies to maximize its application in clinical settings. This in turn offers a thorough and fascinating account of the emerging relationship between isothermal calorimetry and cancer biochemistry, as well as its potential to revolutionize cancer detection and therapy. Isothermal titration calorimetry ; Cancer ; Calorimetry ; Isothermal process ; Isothermal microcalorimetry ; Nexus (standard) ; Medicine ; Cancer therapy ; Medical physics ; Chemistry ; Internal medicine ; Computer science ; Thermodynamics ; Biochemistry ; Physics thermodynamics and calorimetric analyses ; Mass Spectrometry Techniques and Applications ; Advanced biosensing and bioanalysis techniques
Authors: O. Schwarzkopf | Andreas Jankowiak | Antje Vollmer | for the BESSY II/BESSY III team
Source: The European Physical Journal Plus (article, 2023-04-21)
Field: Materials Science — Materials Chemistry

Materials discovery at BESSY The BESSY II synchrotron radiation source at Helmholtz-Zentrum Berlin (HZB) is an internationally leading facility playing to its strengths in the UV and soft X-ray regime, with the mission to enlight and enable materials discovery, develop solutions and answers to the societal challenges of this century, like Energy, Information and Health, and enable research and innovation along the entire value chain. To maintain BESSY II competitive while bridging to its successor source BESSY III, HZB is currently developing an ambitious strategic upgrade program of the facility which includes maintenance and modernization measures as well as the provision of new research opportunities with the focus on new <i>operando</i> capabilities for energy research and technology development. On the longer term, the 4th generation source BESSY III is needed to meet the requirements of the mission-oriented scientific focus fields Catalysis, Energy, Quantum and Information and Life Sciences as well as Metrology for Innovation. Upgrade ; Modernization theory ; Engineering physics ; Computer science ; Physics ; Political science Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Electron and X-Ray Spectroscopy Techniques
Authors: Matei Badalan | Lucie Adisson | Arthur Boldron | Jean‐Luc Achard | Giovanni Ghigliotti | Guillaume Balarac | Frédéric Bottausci
Source: Comptes Rendus Mécanique (article, 2023-02-27)
Field: Materials Science — Biomaterials

A Soft Landing Approach for the Centrifugal Microgel Synthesis Process Centrifugal microencapsulation has been shown to be a promising encapsulation technique, satisfying at the same time many requirements needed for biomedical applications (monodispersity, controlled size, spherical shape, sterile production environment) and allowing a high capsules production rate, using only conventional lab material. Another important advantage of this technology is the ability to process highly viscous biopolymer solutions. The usage of such solutions is desirable in multiple biomedical applications, because they yield capsules with improved mechanical properties (stiffness and yield strength) and with optimised porosity, which increases the immunoprotection in the case of biomaterial encapsulation applied to cell therapy and enhances a prolonged dissolution behaviour in the case of drug delivery applications. However, previous studies have shown that spherical capsules cannot be obtained using highly viscous solutions, and a capsule tail is always present when such solutions are used. This represents a significant limitation of this technology, since capsule shape regularity is an important requirement for various biomedical applications (e.g. cell therapy implants, drug delivery). In this article we propose and validate experimentally an adaptation of the centrifugal microencapsulation, based on the concept of “soft landing” [1]. This technique allows the production of ellipsoidal and spherical capsules using very viscous (typically up to several tens of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>P</mml:mi> <mml:mi>a</mml:mi> <mml:mo>.</mml:mo> <mml:mi>s</mml:mi> </mml:mrow> </mml:math> ) biopolymer solutions. Materials science ; Biopolymer ; Drug delivery ; Biomaterial ; Nanotechnology ; Dissolution ; Biomedical engineering ; Porosity ; Mechanical engineering ; Polymer ; Composite material ; Chemical engineering ; Engineering Electrospun Nanofibers in Biomedical Applications ; Pancreatic function and diabetes ; Platelet Disorders and Treatments
Authors: Anna V. Abramova | D. A. Kozlov | Varvara O. Veselova | T. O. Kozlova | О. С. Иванова | E. S. Mikhalev | Yuri I. Voytov | А. Е. Баранчиков | В. К. Иванов | Giancarlo Cravotto
Source: Nanomaterials (article, 2023-12-18)
Field: Materials Science — Materials Chemistry

Coating of Filter Materials with CeO2 Nanoparticles Using a Combination of Aerodynamic Spraying and Suction Textiles and nonwovens (including those used in ventilation systems as filters) are currently one of the main sources of patient cross-infection. Healthcare-associated infections (HAIs) affect 5-10% of patients and stand as the tenth leading cause of death. Therefore, the development of new methods for creating functional nanostructured coatings with antibacterial and antiviral properties on the surfaces of textiles and nonwoven materials is crucial for modern medicine. Antimicrobial filter technology must be high-speed, low-energy and safe if its commercialization and mass adoption are to be successful. Cerium oxide nanoparticles can act as active components in these coatings due to their high antibacterial activity and low toxicity. This paper focuses on the elaboration of a high-throughput and resource-saving method for the deposition of cerium oxide nanoparticles onto nonwoven fibrous material for use in air-conditioning filters. The proposed spraying technique is based on the use of an aerodynamic emitter and simultaneous suction. Cerium oxide nanoparticles have successfully been deposited onto the filter materials used in air conditioning systems; the antibacterial activity of the ceria-modified filters exceeded 4.0. Materials science ; Coating ; Cerium oxide ; Cerium ; Nanoparticle ; Air filter ; Nanotechnology ; Composite material ; Oxide ; Metallurgy ; Mechanical engineering ; Inlet Advanced Nanomaterials in Catalysis ; Nanoparticles: synthesis and applications
Authors: Sourav Nag | Reshmi Paul | Sumanta Mondal | Naresh Panigrahi | Partha Roy
Source: Pharmacognosy Research (article, 2023-12-13)
Field: Materials Science — Biomaterials

Calotropin: Natural Phytomolecules for Cutting-edge Features Pharmacognosy Research,2023,16,1,19-25.DOI:10.5530/pres.16.1.3Published:December 2023Type:Review ArticleAuthors:Sourav Nag, Reshmi Paul, Sumanta Mondal, Naresh Panigrahi, and Partha Roy Author(s) affiliations:Sourav Nag, Reshmi Paul, Sumanta Mondal*, Naresh Panigrahi, Partha Roy Department of Pharmaceutical Chemistry, School of Pharmacy, GITAM (Deemed to be University), Visakhapatnam, Andhra Pradesh, INDIA. Abstract:Phytochemical is a collective term for plant chemicals with varied structure and function. The most common sources of phytochemicals are fruits, vegetables, whole grains, nuts and seeds, and other plant foods. Calotropin is a pharmacologically active compound isolated from milkweed plants like Calotropis procera, Calotropis gigantea, and Asclepias curassavica that belong to the Asclepiadaceae family which is used for medicinal purposes in many Asian countries. Calotropin is identified as a highly potent cardenolide that has a similar chemical structure to cardiac glycosides (such as digoxin and digitoxin). Among cardenolides, calotropin is identified as the most promising agent. Calotropin has cytotoxic and anti-tumor impacts, with cancers of the breast, colon, lung, and leukemia malignancies exhibiting the most significant effects. The effects of calotropin on cancer have been extensively studied in preclinical pharmacological studies in vitro using cancer cell lines and in vivo in experimental animal models that have targeted antitumor mechanisms and anticancer signaling pathways. During ancient times, calotropin was utilized in various techniques. A macerated bark extract is frequently utilized for de-hearing hides and tanning. Calotropin is a particularly effective abortifacient or interceptive agent in females. Cardenolide calotropin is poisonous. This critique focused on its chemistry and therapeutic activity in various cancer cells. Keywords:Asclepias curassavica, Calotropin, Calotropis gigantea, Calotropis procera, Cardenolide.View:PDF (595.4 KB) Natural (archaeology) ; Enhanced Data Rates for GSM Evolution ; Computer science ; Artificial intelligence ; Geology Phytochemistry and Bioactive Compounds ; Phytochemical compounds biological activities ; Fungal Biology and Applications