jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nádia Vital | Célia Ventura | Michel Kranendonk | Maria João Silva | Henriqueta Louro
Source: Nanomaterials (review, 2022-09-27)
Field: Materials Science — Biomaterials

Toxicological Assessment of Cellulose Nanomaterials: Oral Exposure Cellulose nanomaterials (CNMs) have emerged recently as an important group of sustainable bio-based nanomaterials (NMs) with potential applications in multiple sectors, including the food, food packaging, and biomedical fields. The widening of these applications leads to increased human oral exposure to these NMs and, potentially, to adverse health outcomes. Presently, the potential hazards regarding oral exposure to CNMs are insufficiently characterised. There is a need to understand and manage the potential adverse effects that might result from the ingestion of CNMs before products using CNMs reach commercialisation. This work reviews the potential applications of CNMs in the food and biomedical sectors along with the existing toxicological in vitro and in vivo studies, while also identifying current knowledge gaps. Relevant considerations when performing toxicological studies following oral exposure to CNMs are highlighted. An increasing number of studies have been published in the last years, overall showing that ingested CNMs are not toxic to the gastrointestinal tract (GIT), suggestive of the biocompatibility of the majority of the tested CNMs. However, in vitro and in vivo genotoxicity studies, as well as long-term carcinogenic or reproductive toxicity studies, are not yet available. These studies are needed to support a wider use of CNMs in applications that can lead to human oral ingestion, thereby promoting a safe and sustainable-by-design approach. Human health ; Medicine ; Adverse effect ; Ingestion ; Pharmacology ; Environmental health ; Internal medicine Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Pineapple and bromelain studies
Authors: Andrew Nelson
Source: Progress in Nuclear Energy (article, 2022-11-17)
Field: Materials Science — Materials Chemistry

Prospects for additive manufacturing of nuclear fuel forms Nuclear fuel ; Cladding (metalworking) ; Fabrication ; Computer science ; Nuclear reactor ; Nuclear reactor core ; Nuclear material ; Nuclear engineering ; Manufacturing engineering ; Process engineering ; Systems engineering ; Engineering ; Materials science Nuclear Materials and Properties ; Additive Manufacturing Materials and Processes ; Additive Manufacturing and 3D Printing Technologies
Authors: Meng Song | Xiulin Yue | Chaokang Chang | Fengyi Cao | Guomin Yu | Xiujuan Wang
Source: Polymers (article, 2022-02-14)
Field: Materials Science — Polymers and Plastics

Investigation of the Compatibility and Damping Performance of Graphene Oxide Grafted Antioxidant/Nitrile-Butadiene Rubber Composite: Insights from Experiment and Molecular Simulation Rubber damping materials are widely used in electronics, electrical and other fields because of their unique viscoelasticity. How to prepare high-damping materials and prevent small molecule migration has attracted much attention. Antioxidant 4010NA was successfully grafted onto graphene oxide (GO) to prepare an anti-migration antioxidant (GO-4010NA). A combined molecular dynamics (MD) simulation and experimental study is presented to investigate the effects of small molecules 4010NA, GO, and GO-4010NA on the compatibility and damping properties of nitrile-butadiene rubber (NBR) composites. Differential scanning calorimetry (DSC) results showed that both 4010NA and GO-4010NA had good compatibility with the NBR matrix, and the <i>T<sub>g</sub></i> of GO-4010NA/NBR composite was improved. Dynamic mechanical analysis (DMA) data showed that the addition of GO-4010NA increased the damping performance of NBR than that of the addition of 4010NA. Molecular dynamics (MD) simulation results show GO-4010NA/NBR composites have the smallest free volume fraction (FFV) and the largest binding energy. GO-4010NA has a strong interaction with NBR due to the forming of hydrogen bonds (H-bonds). Grafting 4010NA onto GO not only inhibits the migration of 4010NA but also improves the damping property of NBR matrixes. This study provides new insights into GO grafted small molecules and the design of high-damping composites. Materials science ; Graphene ; Composite material ; Composite number ; Natural rubber ; Nitrile ; Oxide ; Dynamic mechanical analysis ; Compatibility (geochemistry) ; Molecular dynamics ; Molecule ; Polymer ; Nanotechnology ; Computational chemistry ; Organic chemistry ; Chemistry Polymer Nanocomposites and Properties ; Polymer crystallization and properties ; Polymer composites and self-healing
Authors: Mark A. B. Kreutzberger | Shengyuan Wang | Leticia C. Beltrán | Abraham Tuachi | Xiaobing Zuo | Edward H. Egelman | Vincent P. Conticello
Source: Proceedings of the National Academy of Sciences (article, 2022-05-09)
Field: Materials Science — Biomaterials

Phenol-soluble modulins PSMα3 and PSMβ2 form nanotubes that are cross-α amyloids Phenol-soluble modulins (PSMs) are peptide-based virulence factors that play significant roles in the pathogenesis of staphylococcal strains in community-associated and hospital-associated infections. In addition to cytotoxicity, PSMs display the propensity to self-assemble into fibrillar species, which may be mediated through the formation of amphipathic conformations. Here, we analyze the self-assembly behavior of two PSMs, PSMα3 and PSMβ2, which are derived from peptides expressed by methicillin-resistant Staphylococcus aureus (MRSA), a significant human pathogen. In both cases, we observed the formation of a mixture of self-assembled species including twisted filaments, helical ribbons, and nanotubes, which can reversibly interconvert in vitro. Cryo–electron microscopy structural analysis of three PSM nanotubes, two derived from PSMα3 and one from PSMβ2, revealed that the assemblies displayed remarkably similar structures based on lateral association of cross-α amyloid protofilaments. The amphipathic helical conformations of PSMα3 and PSMβ2 enforced a bilayer arrangement within the protofilaments that defined the structures of the respective PSMα3 and PSMβ2 nanotubes. We demonstrate that, similar to amyloids based on cross-β protofilaments, cross-α amyloids derived from these PSMs display polymorphism, not only in terms of the global morphology (e.g., twisted filament, helical ribbon, and nanotube) but also with respect to the number of protofilaments within a given peptide assembly. These results suggest that the folding landscape of PSM derivatives may be more complex than originally anticipated and that the assemblies are able to sample a wide range of supramolecular structural space. Phenol ; Chemistry ; Materials science ; Chemical engineering ; Organic chemistry Supramolecular Self-Assembly in Materials ; Computational Drug Discovery Methods ; Graphene and Nanomaterials Applications
Authors: Karen M. Soto | Iván Luzardo‐Ocampo | José Mauricio López-Romero | Sandra Mendoza | Guadalupe Lóarca-Piña | Eric M. Rivera‐Muñoz | Alejandro Manzano-Ramírez
Source: Pharmaceutics (article, 2022-09-28)
Field: Materials Science — Materials Chemistry

Gold Nanoparticles Synthesized with Common Mullein (Verbascum thapsus) and Castor Bean (Ricinus communis) Ethanolic Extracts Displayed Antiproliferative Effects and Induced Caspase 3 Activity in Human HT29 and SW480 Cancer Cells Gold nanoparticles (AuNPs) are promising nanomaterials exhibiting anti-cancer effects. Green AuNPs synthesis using plant extracts can be used to achieve stable and beneficial nanoparticles due to their content of bioactive compounds. This research aimed to synthesize and evaluate the antiproliferative and caspase-3 activity induction of green AuNPs synthesized with common mullein (<i>V. thapsus</i>) flowers (AuNPsME) and castor bean (<i>R. communis</i>) leaves (AuNPsCE) ethanolic extracts in human HT29 and SW480 colorectal cancer cells. Their effect was compared with chemically synthesized AuNPs (AuNPsCS). The extracts mainly contained <i>p</i>-coumaric acid (71.88-79.93 µg/g), ferulic acid (19.07-310.71 µg/g), and rutin (8.14-13.31 µg/g). The obtained nanoparticles presented typical FT-IR bands confirming the inclusion of polyphenols from <i>V. thapsus</i> and <i>R. communis</i> and spherical/quasi-spherical morphologies with diameters in the 20.06-37.14 nm range. The nanoparticles (20-200 µg/mL) showed antiproliferative effects in both cell lines, with AuNPsCE being the most potent (IC<sub>50</sub> HT29: 110.10 and IC<sub>50</sub>SW480: 64.57 µg/mL). The AuNPsCS showed the lowest intracellular reactive oxygen species (ROS) generation in SW480 cells. All treatments induced caspase 3/7 activity to a similar or greater extent than 30 mM H<sub>2</sub>O<sub>2</sub>-treated cells. Results indicated the suitability of <i>V. thapsus</i> and <i>R. communis</i> extracts to synthesize AuNPs, displaying a stronger antiproliferative effect than AuNPsCS. Ricinus ; Traditional medicine ; Boswellia serrata ; Chemistry ; Biology ; Botany ; Medicine Nanoparticles: synthesis and applications ; Toxin Mechanisms and Immunotoxins ; Phytochemicals and Antioxidant Activities
Authors: Qiancheng Zhao | Weihao Yuan | Jiaqi Qu | Zhi Cheng | Gang‐Ding Peng | Changyuan Yu
Source: Nanomaterials (review, 2022-02-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Optical Fiber-Integrated Metasurfaces: An Emerging Platform for Multiple Optical Applications The advent of metasurface technology has revolutionized the field of optics and photonics in recent years due to its capability of engineering optical wavefronts with well-patterned nanostructures at subwavelength scale. Meanwhile, inspired and benefited from the tremendous success of the "lab-on-fiber" concept, the integration of metasurface with optical fibers has drawn particular interest in the last decade, which establishes a novel technological platform towards the development of "all-in-fiber" metasurface-based devices. Thereby, this review aims to present and summarize the optical fiber-integrated metasurfaces with the current state of the art. The application scenarios of the optical fiber metasurface-based devices are well classified and discussed accordingly, with a brief explanation of physical fundamentals and design methods. The key fabrication methods corresponding to various optical fiber metasurfaces are summarized and compared. Furthermore, the challenges and potential future research directions of optical fiber metasurfaces are addressed to further leverage the flexibility and versatility of meta-fiber-based devices. It is believed that the optical fiber metasurfaces, as a novel all-around technological platform, will be exploited for a large range of applications in telecommunication, sensing, imaging, and biomedicine. Optical fiber ; Materials science ; Optoelectronics ; Computer science ; Nanotechnology ; Telecommunications Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Sagnik Banerjee | Purba Dutta | Snehashish Basu | Sunil Kumar Mishra | Bhargav Appasani | Sarita Nanda | Yadgar I. Abdulkarim | Fahmi F. Muhammadsharif | Jian Dong | Amitkumar V. Jha | Nicu Bizon | Phatiphat Thounthong
Source: Symmetry (article, 2022-12-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A New Design of a Terahertz Metamaterial Absorber for Gas Sensing Applications Metamaterial absorbers are used in the terahertz frequency regime as photo-detectors, as sensing elements, in imaging applications, etc. Narrowband absorbers, on account of their ultra-slender bandwidth within the terahertz frequency spectrum, show a significant shift in the absorption peak when an extrinsic entity relative to the absorber, like refractive index or temperature of the encircling medium, is altered. This property paves the path for the narrowband absorbers to be used as potential sensors to detect any alterations in the encircling medium. In this paper, a novel design of a terahertz metamaterial (MTM) absorber is proposed, which can sense the variations in the refractive index (RI) of the surrounding medium. The effective permeability of the structure is negative, while its permittivity is positive; thus, it is a μ-negative metamaterial. The layout involves a swastika-shaped design made of gold on top of a dielectric gallium arsenide (GaAs) substrate. The proposed absorber achieved a nearly perfect absorption of 99.65% at 2.905 terahertz (THz), resulting in a quality factor (Q-factor) of 145.25. The proposed design has a sensitivity of 2.12 THz/RIU over a range of varied refractive index from n = 1.00 to n = 1.05 with a step size of 0.005, thereby achieving a Figure of Merit (FoM) of 106. Furthermore, the sensor was found to have a polarization-insensitive characteristic. Considering its high sensitivity (S), the proposed sensor was further tested for gas sensing applications of harmful gases. As a case study, the sensor was used to detect chloroform. The proposed work can be the foundation for developing highly sensitive gas sensors. Terahertz radiation ; Metamaterial absorber ; Metamaterial ; Materials science ; Refractive index ; Narrowband ; Optoelectronics ; Optics ; Permittivity ; Figure of merit ; Bandwidth (computing) ; Dielectric ; Physics ; Tunable metamaterials ; Telecommunications ; Computer science Metamaterials and Metasurfaces Applications ; Terahertz technology and applications ; Plasmonic and Surface Plasmon Research
Authors: Manuel Alejandro Tamayo-Monsalve | Esteban Mercado-Ruiz | Juan Pablo Villa-Pulgarín | Mario Alejandro Bravo-Ortíz | Harold Brayan Arteaga-Arteaga | Alejandro Mora-Rubio | Jesús Alejandro Alzate-Grisales | Daniel Arias-Garzón | Víctor Romero-Cano | Simón Orozco-Arias | Gustavo Osorio | Reinel Tabares-Soto
Source: IEEE Access (article, 2022-01-01)
Field: Chemistry — Analytical Chemistry

Coffee Maturity Classification Using Convolutional Neural Networks and Transfer Learning This work presents a framework for coffee maturity classification from multispectral image data based on Convolutional Neural Networks (CNNs). The system leverages the use of multispectral image acquisition systems that generate large amounts of data, by taking advantage of the ability of CNNs to extract meaningful patterns from very high-dimensional data. We validated the use of five different popular CNN architectures on the classification of cherry coffee fruits according to their ripening stage. The different models were trained on a training dataset balanced in different ways, which resulted in a top accuracy higher than 98% when applied to the classification of 600 coffee fruits in 5 different stages of ripening. This work has the potential of providing the farmer with a high-quality, optimized, accurate and viable method for classifying coffee fruits. In order to foster future research in this area, the data used in this work, which was acquired with a custom-developed multispectral image acquisition system, have been released. Multispectral image ; Convolutional neural network ; Computer science ; Artificial intelligence ; Transfer of learning ; Maturity (psychological) ; Contextual image classification ; Pattern recognition (psychology) ; Machine learning ; Artificial neural network ; Image (mathematics) Spectroscopy and Chemometric Analyses ; Coffee research and impacts ; Smart Agriculture and AI
Authors: Abdul Wasy Zia | Rong Liu | Xinbo Wu
Source: Bio-Design and Manufacturing (article, 2022-08-23)
Field: Materials Science — Biomaterials

Structural design and mechanical performance of composite vascular grafts Abstract This study reviews the state of the art in structural design and the corresponding mechanical behaviours of composite vascular grafts. We critically analyse surface and matrix designs composed of layered, embedded, and hybrid structures along the radial and longitudinal directions; materials and manufacturing techniques, such as tissue engineering and the use of textiles or their combinations; and the corresponding mechanical behaviours of composite vascular grafts in terms of their physical–mechanical properties, especially their stress–strain relationships and elastic recovery. The role of computational studies is discussed with respect to optimizing the geometrics designs and the corresponding mechanical behaviours to satisfy specialized applications, such as those for the aorta and its subparts. Natural and synthetic endothelial materials yield improvements in the mechanical and biological compliance of composite graft surfaces with host arteries. Moreover, the diameter, wall thickness, stiffness, compliance, tensile strength, elasticity, and burst strength of the graft matrix are determined depending on the application and the patient. For composite vascular grafts, hybrid architectures are recommended featuring multiple layers, dimensions, and materials to achieve the desired optimal flexibility and function for complying with user-specific requirements. Rapidly emerging artificial intelligence and big data techniques for diagnostics and the three-dimensional (3D) manufacturing of vascular grafts will likely yield highly compliant, subject-specific, long-lasting, and economical vascular grafts in the near-future. Graphic abstract Composite number ; Stiffness ; Materials science ; Ultimate tensile strength ; Elasticity (physics) ; Flexibility (engineering) ; Biomedical engineering ; Structural engineering ; Computer science ; Composite material ; Engineering ; Mathematics Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Aortic Disease and Treatment Approaches
Authors: Thayalan Arumugam | Muhammad Asyraf Md Hatta
Source: Plants (review, 2022-12-07)
Field: Chemistry — Inorganic Chemistry

Improving Coconut Using Modern Breeding Technologies: Challenges and Opportunities Coconut (<i>Cocos nucifera</i> L.) is a perennial palm with a wide range of distribution across tropical islands and coastlines. Multitude use of coconut by nature is important in the socio-economic fabric framework among rural smallholders in producing countries. It is a major source of income for 30 million farmers, while 60 million households rely on the coconut industry directly as farm workers and indirectly through the distribution, marketing, and processing of coconut and coconut-based products. Stagnant production, inadequate planting materials, the effects of climate change, as well as pests and diseases are among the key issues that need to be urgently addressed in the global coconut industry. Biotechnology has revolutionized conventional breeding approaches in creating genetic variation for trait improvement in a shorter period of time. In this review, we highlighted the challenges of current breeding strategies and the potential of biotechnological approaches, such as genomic-assisted breeding, next-generation sequencing (NGS)-based genotyping and genome editing tools in improving the coconut. Also, combining these technologies with high-throughput phenotyping approaches and speed breeding could speed up the rate of genetic gain in coconut breeding to solve problems that have been plaguing the industry for decades. Business ; Biotechnology ; Computer science ; Biology Coconut Research and Applications ; Peanut Plant Research Studies ; Advances in Cucurbitaceae Research
Authors: Mark V. Ivanov | Julia A. Bubis | Vladimir Gorshkov | Irina A. Tarasova | Lev I. Levitsky | Elizaveta M. Solovyeva | Anastasiya V. Lipatova | Frank Kjeldsen | Mikhail V. Gorshkov
Source: Analytical Chemistry (article, 2022-09-12)
Field: Chemistry — Spectroscopy

DirectMS1Quant: Ultrafast Quantitative Proteomics with MS/MS-Free Mass Spectrometry Recently, we presented the DirectMS1 method of ultrafast proteome-wide analysis based on minute-long LC gradients and MS1-only mass spectra acquisition. Currently, the method provides the depth of human cell proteome coverage of 2500 proteins at a 1% false discovery rate (FDR) when using 5 min LC gradients and 7.3 min runtime in total. While the standard MS/MS approaches provide 4000-5000 protein identifications within a couple of hours of instrumentation time, we advocate here that the higher number of identified proteins does not always translate into better quantitation quality of the proteome analysis. To further elaborate on this issue, we performed a one-on-one comparison of quantitation results obtained using DirectMS1 with three popular MS/MS-based quantitation methods: label-free (LFQ) and tandem mass tag quantitation (TMT), both based on data-dependent acquisition (DDA) and data-independent acquisition (DIA). For comparison, we performed a series of proteome-wide analyses of well-characterized (ground truth) and biologically relevant samples, including a mix of UPS1 proteins spiked at different concentrations into an <i>Echerichia coli</i> digest used as a background and a set of glioblastoma cell lines. MS1-only data was analyzed using a novel quantitation workflow called DirectMS1Quant developed in this work. The results obtained in this study demonstrated comparable quantitation efficiency of 5 min DirectMS1 with both TMT and DIA methods, yet the latter two utilized a 10-20-fold longer instrumentation time. Chemistry ; Mass spectrometry ; Proteomics ; Chromatography ; Quantitative proteomics ; Ion-mobility spectrometry–mass spectrometry ; Analytical Chemistry (journal) ; Tandem mass spectrometry ; Selected reaction monitoring ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies