jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Manoj Kumar Kingsley | G. Rao | Ballambattu Vishnu Bhat
Source: Bioinformatics and Biology Insights (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Effectiveness of Narciclasine in Suppressing the Inflammatory Response in Sepsis: Molecular Docking and In Silico Studies Narciclasine is an alkaloid belonging to the Amaryllidaceae family which has been reported to have many beneficial properties. Especially its anticancer properties have been widely reported. Here, we have focused on its potential use in suppressing the inflammatory response in sepsis using in silico methods. Lipopolysaccharide (LPS) is an endotoxin which is present in the outer membrane of gram-negative bacteria and is a crucial player in the pathogenesis of gram-negative sepsis. Activation of toll-like receptor 4 (TLR4) signaling by LPS is an important event in the pathogenesis of gram-negative sepsis. This initiates a downstream signaling pathway comprising of several adaptor proteins such as toll/interleukin-1 receptor domain-containing adapter protein (TIRAP), myeloid differentiation primary response protein 88 (MyD88), interleukin-1 receptor-associated kinase (IRAK)-1, IRAK-4, interferon regulatory factor 3 (IRF-3), tumor necrosis factor receptor-associated factor 6 (TRAF-6) leading to nuclear factor kappa B (NF-κβ) activation resulting in elevated production of inflammatory cytokines such as tumor necrosis factor alpha (TNF-α) and interleukin (IL)-6. S100 calcium binding proteins A8/A9 (S100A8/A9) have been found to be an agonist of TLR4, and it amplifies the inflammatory response in sepsis. Molecular docking studies of narciclasine with target proteins associated with the LPS-TLR4 pathway showed that it has good binding affinity and stable interactions with the targets studied. Molecular dynamics (MD) simulation studies over 100 ns showed that most of the ligand-target complexes were stable. The structures of all the targets except TRAF-6 were retrieved from the Protein Data Bank (PDB) database. Homology modeling was done to predict the 3-dimensional structure of TRAF-6. MD simulation of narciclasine-TRAF-6 complex showed that the structure is stable. Metapocket was used for active site prediction in the target proteins. Toxicity analysis by admetSAR revealed that narciclasine was readily biodegradable and exhibited minimum toxicity. These results indicate that narciclasine has effective anti-inflammatory properties which could be useful in suppressing the inflammatory response in sepsis. Tumor necrosis factor alpha ; TLR4 ; Sepsis ; In silico ; Biology ; Receptor ; Signal transduction ; Immunology ; Chemistry ; Cell biology ; Biochemistry Chemical synthesis and alkaloids ; Alkaloids: synthesis and pharmacology ; Receptor Mechanisms and Signaling
Authors: D. Goll | Marius Boettle | J. Buschbeck | Ralf B. Loeffler | Gerhard Schneider
Source: physica status solidi (RRL) - Rapid Research Letters (article, 2024-05-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

High‐Cerium‐Content Fe–Ce–Nd–B Sintered Magnets with High Coercivity Ce substitution of Nd in FeNdB sintered magnets is very interesting for reasons of resource efficiency, sustainability and costs. However, the magnetic properties of high Ce‐content magnets are poor. This is mainly due to the lower values of intrinsic magnetic properties of Fe 14 Ce 2 B compared to Fe 14 Nd 2 B as well as the Laves phase Fe 2 Ce, which is formed in the grain boundaries and forms flat aggregates for higher Ce‐content. In this article, sintered magnets with 75 at% degree of substitution of the composition Fe70.9–[(Ce 1− x La x ) 0.75 Nd 0.25 ]18.8–B5.8–M4.5 (M = Co, Ti, Al, Ga, Cu, 0 ≤ x ≤ 0.3) are produced and analyzed. It is shown that a new rare earth rich grain boundary phase is formed adding La and that the Laves phase fraction can be reduced by up to 85%. With increasing La content, the remanence and Curie temperature increase and the temperature coefficient of H c improves. A coercivity, remanence, and maximum energy density of up to μ 0 H c = 0.74 T, J r = 0.98 T, and (BH) max = 139.9 kJ m −3 have been achieved. Coercivity ; Cerium ; Materials science ; Magnet ; Metallurgy ; Condensed matter physics ; Physics Magnetic Properties of Alloys ; Superconducting Materials and Applications ; Hydrogen Storage and Materials
Authors: K. Kaboutari | Abdelghafour Abraray | Stanislav I. Maslovski
Source: Applied Sciences (article, 2024-03-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Numerically Optimized Fourier Transform-Based Beamforming Accelerated by Neural Networks Conventional beamforming methods for reconfigurable reflector antennas assume full control over the amplitude and phase of the reflected field. Here, we develop a novel beamforming methodology for reflecting Programmable Metasurfaces (PMS) with capacitive memory. Although utilizing such fully reactive PMS simplifies antenna design and reduces energy consumption, the PMS reflection magnitude is unity and thus a global optimization of the reflection phases over the PMS unit cells is required in each beamforming scenario. We propose an implementation of such an optimization method rooted in the traditional Fourier transform-based beamforming and evaluate its performance. Additionally, we show that a pair of trained feed-forward neural networks (FFNN) with one input, one hidden, and one output layer can replace time-consuming global optimizations in the case of a PMS comprising 3×10 unit cells. We train the FFNNs on a dataset obtained for typical single- and dual-beam beamforming scenarios. After training, the FFNNs perform requested beamforming tasks within a fraction of second and with about the same accuracy as the original optimization algorithm. The proposed methodology may find applications in future mobile telecommunication systems that require real-time beamforming on low-end hardware. The same beamforming methodology can be also employed in short-range wireless power transfer systems. Beamforming ; WSDMA ; Computer science ; Electronic engineering ; Engineering ; Telecommunications ; Precoding ; MIMO Metamaterials and Metasurfaces Applications ; Antenna Design and Analysis ; Advanced Wireless Communication Technologies
Authors: 陈绩 Chen Ji | 叶欣 Ye Xin | 吴悦 Wu Yue | 祝世宁 Zhu Shining | 李涛 Li Tao
Source: Laser & Optoelectronics Progress (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

中国光学十大进展：基于超构透镜阵列的新型成像器件（特邀） 透镜阵列是由多个透镜按照一定的方式排布而成的多功能光学元件。与单个透镜相比，其可以采集更多的光场信息，具有高速运动探测、三维光场成像、并行信息处理等功能。近年来研究人员将人工微结构材料——超构表面制备成超构透镜阵列，不仅具有传统微透镜阵列的功能，更具有灵活设计、超轻超薄等优势，在光学器件和系统的微型化、智能化、集成化方面具有重要的应用潜力。本文将首先介绍透镜阵列的工作原理，其次将介绍近年来超构透镜阵列在成像和信息技术领域的成功应用，并最终展望超构透镜阵列技术未来的发展。 Computer science Metamaterials and Metasurfaces Applications ; Advanced Optical Imaging Technologies ; Photonic Crystals and Applications
Authors: Rajesh K. Soni
Source: Research Square (preprint, 2024-04-01)
Field: Chemistry — Spectroscopy

Frontiers in Plasma Proteome Profiling Platforms: Innovations and Applications. Biomarkers play a crucial role in advancing precision medicine by enabling more targeted and individualized approaches to diagnosis and treatment. Various biofluids, including serum, plasma, cerebrospinal fluid (CSF), saliva, tears, pancreatic cyst fluids, and urine, have been identified as rich sources of potential for the early detection of disease biomarkers in conditions such as cancer, cardiovascular diseases, and neurodegenerative disorders. The analysis of plasma and serum in proteomics research encounters challenges due to their high complexity and the wide dynamic range of protein abundance. These factors impede the sensitivity, coverage, and precision of protein detection when employing mass spectrometry, a widely utilized technology in discovery proteomics. Conventional approaches such as neat plasma workflow are inefficient in accurately quantifying low-abundant proteins, including those associated with tissue leakage, immune response molecules, interleukins, cytokines, and interferons. Moreover, the manual nature of the workflow poses a significant hurdle in conducting large cohort studies. In this study, our focus is on comparing workflows for plasma proteomic profiling to establish a methodology that is not only sensitive and reproducible but also applicable for large cohort studies in biomarker discovery. Our investigation revealed that the SeerProteographXT workflow outperforms other workflows in terms of plasma proteome depth, quantitative accuracy, and reproducibility while offering complete automation of sample preparation. Notably, SeerProteographXT demonstrates versatility by applying it to various types of biofluids. Additionally, the proteins quantified widely cover secretory proteins in peripheral blood, and the pathway analysis enriched with relevant components such as interleukins, tissue necrosis factors, chemokines, and B and T cell receptors provides valuable insights. These proteins, often challenging to quantify in complex biological samples, hold potential as early detection markers for various diseases, thereby contributing to the improvement of patient care quality. Proteomics ; Proteome ; Biomarker discovery ; Computational biology ; Workflow ; Biomarker ; Bioinformatics ; Computer science ; Biology ; Medicine Advanced Proteomics Techniques and Applications ; Machine Learning in Bioinformatics ; Artificial Intelligence in Healthcare
Authors: Nafis Mustakim | L. Vera | Jose Pacheco Pinto | Sang‐Woo Seo
Source: Journal of Microelectromechanical Systems (article, 2024-07-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Gold Nanorod-Embedded PDMS Micro-Pillar Array for Localized Photothermal Stimulation Gold nanorods (GNRs) are one of the most promising biomaterial choices for the photothermal activation of neurons due to their relative biocompatibility, unique photothermal properties, and broad optical tunability through their synthetic shape control. While photothermal stimulation using randomly accumulated GNRs successfully demonstrates the potential treatment of functional neural disorders by modulating the neuronal activities using localized heating, there are limited demonstrations to translate this new concept into large-arrayed neural stimulations. In this paper, we report an arrayed PDMS micropillar platform in which GNRs are embedded as pixel-like, arrayed photothermal stimulators at the tips of the pillars. The proposed platform will be able to localize GNRs at predetermined pillar positions and create thermal stimulations using near-infrared (NIR) light. This will address the limitations of randomly distributed GNR-based approaches. Furthermore, a flexible PDMS pillar structure will create intimate interfaces on target cells. By characterizing the spatiotemporal temperature change in the platform with rhodamine B dye, we have shown that the localized temperature can be optically modulated within 4°C, which is in the range of temperature variation required for neuromodulation using NIR light. We envision that our proposed platform has the potential to be applied as a photothermal, neuronal stimulation interface with high spatiotemporal resolution. Pillar ; Nanorod ; Photothermal therapy ; Materials science ; Nanotechnology ; Photothermal effect ; Optoelectronics ; Engineering Gold and Silver Nanoparticles Synthesis and Applications ; Photoreceptor and optogenetics research ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Jiabin Yu | B. Andrei Bernevig | Raquel Queiroz | Enrico Rossi | Päivi Törmä | Bohm‐Jung Yang
Source: arXiv (Cornell University) (preprint, 2024-12-30)
Field: Chemistry — Physical and Theoretical Chemistry

Quantum Geometry in Quantum Materials Quantum geometry, characterized by the quantum geometric tensor, is pivotal in diverse physical phenomena in quantum materials. In condensed matter systems, quantum geometry refers to the geoemtric properties of Bloch states in the Brillouin zone. This pedagogical review provides an accessible introduction to the concept of quantum geometry, emphasizing its extensive implications across multiple domains. Specifically, we discuss the role of quantum geometry in optical responses, Landau levels, and fractional Chern insulators, as well as its influence on superfluid weight, spin stiffness, exciton condensates, electron-phonon coupling, etc. By integrating these topics, we underscore the pervasive significance of quantum geometry in understanding emergent behaviors in quantum materials. Finally, we present an outlook on open questions and potential future directions, highlighting the need for continued exploration in this rapidly developing field. Quantum ; Geometry ; Quantum geometry ; Physics ; Theoretical physics ; Quantum mechanics ; Open quantum system ; Quantum operation ; Mathematics History and advancements in chemistry
Authors: Samantha Islam | Hasan Jameel | Jonathan M. Cullen
Source: Journal of Cleaner Production (article, 2024-11-08)
Field: Materials Science — Biomaterials

Multi-stage MFA for evaluating sustainable waste potential for bioplastics conversion in the circular economy: An examination of UK wastes to produce cellulose nanofibre The negative environmental effect of petrochemical plastics prompts a shift in commercial interest towards bioplastics. Bioplastics produced from wastes and residues, when compared to primary biomass, reduces costs and emissions. However, these wastes are fed in alternative applications, resisting their use for bioplastics. The transition of wastes from current practices to bioplastics calls for a sustainability assessment, which is a combined examination of the economic, environmental and technical aspects. Material flow analysis (MFA), quantifying the flows of materials within a given system, is often used for waste management. However, MFA, not capturing additional waste characteristics, falls short in evaluating sustainable waste diversion. Therefore, this study suggests a Multi-stage MFA technique, integrating Multi criteria analysis (MCA) with MFA, to link additional information to the material flows, enabling sustainability assessment of waste to bioplastics conversion. To demonstrate the proposed methodology, this paper combines MFA with two particular MCA techniques, Analytic Hierarchy Process and Vector Space Theory, to analyse a UK case study of cellulose nanofibril (CNF) production. The findings indicate that, 11.6 Mt of the 18.04 dry Mt lignocellulosic wastes are sustainable for producing CNF films. However, this amount can change if the criteria or their relative importance in sustainability evaluation changes. The proposed approach is a generic tool for analysing sustainability of wastes to bioplastics conversion under a given geographic region to underpin circular economy. • Bioplastics produced from wastes reduces costs and emissions. • Wastes to bioplastics production necessitates combined sustainability assessment. • MFA is integrated with Multi criteria analysis to assess sustainability of wastes for upscaled bioplastics production. Bioplastic ; Circular economy ; Waste management ; Cellulose ; Waste material ; Stage (stratigraphy) ; Sustainability ; Business ; Engineering ; Chemical engineering Advanced Cellulose Research Studies ; Microplastics and Plastic Pollution ; biodegradable polymer synthesis and properties
Authors: Fabio Pavanello | Benoı̂t Charbonnier | Pierre Noé
Source: Photoniques (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Phase-change materials for photonic applications Phase-change materials (PCMs) have been growing in interest over the last decade for photonic applications. In this article, we will firstly review their properties and their key benefits with respect to concurring technologies for reconfigurable photonic devices and systems. Then, we will highlight some key open challenges PCMs are currently facing for their ubiquitous adoption. Finally, we will provide some potential routes for addressing these challenges with a focus on current activities in the Grenoble (France) region. Key (lock) ; Photonics ; Focus (optics) ; Phase change ; Nanotechnology ; Computer science ; Phase (matter) ; Telecommunications ; Engineering physics ; Engineering ; Materials science ; Optoelectronics ; Physics ; Computer security ; Optics Phase-change materials and chalcogenides ; Advanced Optical Network Technologies ; Optical Network Technologies
Authors: Jey‐R S. Ventura | Ruby Lynn Ventura
Source: The Philippine Agricultural Scientist (article, 2024-03-01)
Field: Materials Science — Biomaterials

Techno-Economic Feasibility of Polyhydroxybutyrate (PHB) Production from Corn Stover This research evaluated the techno-economic feasibility of polyhydroxybutyrate (PHB) production using corn stover as a substrate for the fermentation process.The target PHB plant production was set at 1000 t PHB per yr, with a daily production of about 3 t PHB.The required corn stover biomass was around 12 000 t per yr.The economic analysis of this study suggested that 91.13 M US$ is needed to put up the targeted plant production capacity, with 94% of the total investment to be allotted to the direct fixed capital cost.Annual operating cost was rated at 4.71 M US$ per yr.Fixing the return of investment (ROI) at 7%, the base selling price of PHB was computed at 11.80 US$ kg -1 .On the other hand, increasing the PHB productivity from 0.34 g PHB L -1 d -1 of the batch operation to a 1.20 g PHB L -1 d -1 of the continuous process may reduce the PHB price to 6.55 US$ kg -1 , which is comparable to the literature.The average cost of PHB was 7.50 US$ kg -1 .To further lower the PHB price, higher sugar yield and productivity, lower enzyme cost, lower pretreatment energy cost, and higher PHB productivity must be established.Furthermore, low-cost sugar or carbon-rich substrate without the need for rigorous upstream processing may also be identified and investigated to produce PHB.Overall, PHB production using agricultural substrates such as corn stover is competitive and feasible. Corn stover ; Polyhydroxybutyrate ; Stover ; Productivity ; Biomass (ecology) ; Production (economics) ; Pulp and paper industry ; Sugar ; Fermentation ; Investment (military) ; Biotechnology ; Agricultural science ; Environmental science ; Food science ; Chemistry ; Economics ; Agronomy ; Engineering ; Biology ; Microeconomics biodegradable polymer synthesis and properties ; Biofuel production and bioconversion ; Catalysis for Biomass Conversion
Authors: Quanjin Ma | Santosh Kumar Sahu | Nitesh Dhar Badgayan | M. R. M. Rejab
Source: Journal of the Mechanical Behavior of Materials (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Experimental and numerical investigations on tensile properties of carbon fibre-reinforced plastic and self-reinforced polypropylene composites Abstract This article aims to investigate the tensile properties of carbon fibre-reinforced plastic (CFRP) and self-reinforced polypropylene (SRPP) composites used in both experimental and numerical investigations. The experimental study evaluated the tensile strength, tensile strain, and modulus of CFRP and SRPP composite laminates under tensile loading. Finite element modelling was employed to predict and validate the tensile properties of these composites. CFRP and SRPP laminates were manufactured using the hot compression technique and stacked through the hand lay-up technique. The results revealed that CFRP with a unidirectional pattern provided a higher tensile strength (1,162 MPa) than the twill pattern (288 MPa) with nominal strain values of 0.017 and 0.013 in the CFRP-based system, respectively. It was observed that the results of CFRP and SRPP composites provided a good agreement between experimental and numerical investigations. Moreover, the failure behaviour of CFRP and SRPP laminates was evaluated and compared with experimental and numerical results. Furthermore, practical applications of CFRP and SRPP composites for lightweight parts are presented. Composite material ; Materials science ; Polypropylene ; Ultimate tensile strength ; Fibre-reinforced plastic Natural Fiber Reinforced Composites ; Mechanical Behavior of Composites ; Fiber-reinforced polymer composites
Authors: Markus Neurauter | Julia Vinzelj | S. Strobl | Christoph Kappacher | Tobias Schlappack | Jovan Badzoka | Matthias Rainer | Christian W. Huck | Sabine Marie Podmirseg
Source: FEMS Microbes (article, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Exploring near-infrared spectroscopy and hyperspectral imaging as novel characterization methods for anaerobic gut fungi Neocallimastigomycota are a phylum of anaerobic gut fungi (AGF) that inhabit the gastrointestinal tract of herbivores and play a pivotal role in plant matter degradation. Their identification and characterization with marker gene regions has long been hampered due to the high inter- and intraspecies length variability in the commonly used fungal marker gene region internal transcribed spacer (ITS). While recent research has improved methodology (i.e. switch to LSU D2 as marker region), molecular methods will always introduce bias through nucleic acid extraction or PCR amplification. Here, near-infrared spectroscopy (NIRS) and hyperspectral imaging (HSI) are introduced as two nucleic acid sequence-independent tools for the characterization and identification of AGF strains. We present a proof-of-concept for both, achieving an independent prediction accuracy of above 95% for models based on discriminant analysis trained with samples of three different genera. We further demonstrated the robustness of the NIRS model by testing it on cultures of different growth times. Overall, NIRS provides a simple, reliable, and nondestructive approach for AGF classification, independent of molecular approaches. The HSI method provides further advantages by requiring less biomass and adding spatial information, a valuable feature if this method is extended to mixed cultures or environmental samples in the future. Hyperspectral imaging ; Characterization (materials science) ; Infrared ; Spectroscopy ; Chemical imaging ; Imaging spectroscopy ; Near-infrared spectroscopy ; Remote sensing ; Materials science ; Nanotechnology ; Optics ; Geology ; Physics Spectroscopy and Chemometric Analyses ; Essential Oils and Antimicrobial Activity ; Spectroscopy Techniques in Biomedical and Chemical Research