jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhao Qing Tang | Tongfei Tian | Paul J. Molino | Alexei T. Skvortsov | Dong Ruan | Jie Ding | Yali Li
Source: Advanced Science (article, 2024-02-25)
Field: Materials Science — Surfaces, Coatings and Films

Recent Advances in Superhydrophobic Materials Development for Maritime Applications Underwater superhydrophobic surfaces stand as a promising frontier in materials science, holding immense potential for applications in underwater infrastructure, vehicles, pipelines, robots, and sensors. Despite this potential, widespread commercial adoption of these surfaces faces limitations, primarily rooted in challenges related to material durability and the stability of the air plastron during prolonged submersion. Factors such as pressure, flow, and temperature further complicate the operational viability of underwater superhydrophobic technology. This comprehensive review navigates the evolving landscape of underwater superhydrophobic technology, providing a deep dive into the introduction, advancements, and innovations in design, fabrication, and testing techniques. Recent breakthroughs in nanotechnology, magnetic-responsive coatings, additive manufacturing, and machine learning are highlighted, showcasing the diverse avenues of progress. Notable research endeavors concentrate on enhancing the longevity of plastrons, the fundamental element governing superhydrophobic behavior. The review explores the multifaceted applications of superhydrophobic coatings in the underwater environment, encompassing areas such as drag reduction, anti-biofouling, and corrosion resistance. A critical examination of commercial offerings in the superhydrophobic coating landscape offers a current perspective on available solutions. In conclusion, the review provides valuable insights and forward-looking recommendations to propel the field of underwater superhydrophobicity toward new dimensions of innovation and practical utility. Underwater ; Nanotechnology ; Computer science ; Construction engineering ; Engineering ; Systems engineering ; Architectural engineering ; Materials science ; Geology Surface Modification and Superhydrophobicity ; Advanced Sensor and Energy Harvesting Materials ; Electrospun Nanofibers in Biomedical Applications
Authors: Josh Leeman | Yuhan Liu | Joseph W. Stiles | S. Lee | Prajna Bhatt | Leslie M. Schoop | Robert G. Palgrave
Source: PRX Energy (article, 2024-03-07)
Field: Materials Science — Materials Chemistry

Challenges in High-Throughput Inorganic Materials Prediction and Autonomous Synthesis Materials discovery lays the foundation for many technological advancements. The prediction and discovery of new materials are not simple tasks. Here, we outline some basic principles of solid-state chemistry, which might help to advance both, and discuss pitfalls and challenges in materials discovery. Using the recent work of Szymanski [Nature 624, 86 (2023)], which reported the autonomous discovery of 43 novel materials, as an example, we discuss problems that can arise in unsupervised materials discovery and hope that by addressing these, autonomous materials discovery can be brought closer to reality. We discuss all 43 synthetic products and point out four common shortfalls in the analysis. These errors unfortunately lead to the conclusion that no new materials have been discovered in that work. We conclude that there are two important points of improvement that require future work from the community, as follows. (i) Automated Rietveld analysis of powder x-ray diffraction data is not yet reliable. Future improvement of such, and the development of a reliable artificial-intelligence-based tool for Rietveld fitting, would be very helpful, not only for autonomous materials discovery but also for the community in general. (ii) We find that disorder in materials is often neglected in predictions. The predicted compounds investigated herein have all their elemental components located on distinct crystallographic positions but in reality, elements can share crystallographic sites, resulting in higher-symmetry space groups and—very often—known alloys or solid solutions. This error might be related to the difficulty of modeling disorder in a computationally economical way and needs to be addressed both by computational and experimental material scientists. We find that two thirds of the claimed successful materials in Szymanski are likely to be known compositionally disordered versions of the predicted ordered compounds. We highlight important issues in materials discovery, computational chemistry, and autonomous interpretation of x-ray diffraction. We discuss concepts of materials discovery from an experimentalist point of view, which we hope will be helpful for the community to further advance this important new aspect of our field. Published by the American Physical Society 2024 Throughput ; Identification (biology) ; Nanotechnology ; Perspective (graphical) ; Computer science ; Electronics ; Data science ; Systems engineering ; Engineering ; Materials science ; Artificial intelligence ; Telecommunications ; Electrical engineering ; Wireless ; Biology Machine Learning in Materials Science ; Electronic and Structural Properties of Oxides ; X-ray Diffraction in Crystallography
Authors: Lei Lei | Minghao Yi | Yubin Wang | Youjie Hua | Junjie Zhang | Paras N. Prasad | Shiqing Xu
Source: Nature Communications (article, 2024-02-07)
Field: Materials Science — Materials Chemistry

Dual heterogeneous interfaces enhance X-ray excited persistent luminescence for low-dose 3D imaging Lanthanide-doped fluoride nanoparticles (NPs) showcase adjustable X-ray-excited persistent luminescence (XEPL), holding significant promise for applications in three-dimensional (3D) imaging through the creation of flexible X-ray detectors. However, a dangerous high X-ray irradiation dose rate and complicated heating procedure are required to generate efficient XEPL for high-resolution 3D imaging, which is attributed to a lack of strategies to significantly enhance the XEPL intensity. Here we report that the XEPL intensity of a series of lanthanide activators (Dy, Pr, Er, Tm, Gd, Tb) is greatly improved by constructing dual heterogeneous interfaces in a double-shell nanostructure. Mechanistic studies indicate that the employed core@shell@shell structure could not only passivate the surface quenchers to lower the non-radiative relaxation possibility, but also reduce the interfacial Frenkel defect formation energy leading to increase the trap concentration. By employing a NPs containing flexible film as the scintillation screen, the inside 3D electrical structure of a watch was clearly achieved based on the delayed XEPL imaging and 3D reconstruction procedure. We foresee that these findings will promote the development of advanced X-ray activated persistent fluoride NPs and offer opportunities for safer and more efficient X-ray imaging techniques in a number of scientific and practical areas. Luminescence ; Excited state ; Materials science ; Dual (grammatical number) ; Optoelectronics ; Nanotechnology ; Physics ; Atomic physics Luminescence Properties of Advanced Materials ; Random lasers and scattering media ; Radiation Detection and Scintillator Technologies
Authors: Claudia Ctortecka | Natalie M. Clark | Brian Boyle | Anjali Seth | D.R. Mani | Namrata D. Udeshi | Steven A. Carr
Source: Nature Communications (article, 2024-07-08)
Field: Chemistry — Spectroscopy

Automated single-cell proteomics providing sufficient proteome depth to study complex biology beyond cell type classifications The recent technological and computational advances in mass spectrometry-based single-cell proteomics have pushed the boundaries of sensitivity and throughput. However, reproducible quantification of thousands of proteins within a single cell remains challenging. To address some of those limitations, we present a dedicated sample preparation chip, the proteoCHIP EVO 96 that directly interfaces with the Evosep One. This, in combination with the Bruker timsTOF demonstrates double the identifications without manual sample handling and the newest generation timsTOF Ultra identifies up to 4000 with an average of 3500 protein groups per single HEK-293T without a carrier or match-between runs. Our workflow spans 4 orders of magnitude, identifies over 50 E3 ubiquitin-protein ligases, and profiles key regulatory proteins upon small molecule stimulation. This study demonstrates that the proteoCHIP EVO 96-based sample preparation with the timsTOF Ultra provides sufficient proteome depth to study complex biology beyond cell-type classifications. Proteome ; Proteomics ; Computational biology ; Workflow ; Computer science ; HEK 293 cells ; Quantitative proteomics ; Sample (material) ; Protein expression ; Systems biology ; Chemistry ; Biology ; Bioinformatics ; Nanotechnology ; Biochemistry ; Chromatography ; Cell culture ; Materials science ; Genetics Advanced Proteomics Techniques and Applications ; Ubiquitin and proteasome pathways ; Mass Spectrometry Techniques and Applications
Authors: Fengqi Zhang | Xuefei Miao | Niels van Dijk | E. Brück | Yang Ren
Source: Advanced Energy Materials (article, 2024-03-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advanced Magnetocaloric Materials for Energy Conversion: Recent Progress, Opportunities, and Perspective Abstract Solid‐state caloric effects as intrinsic thermal responses to different physical external stimuli (magnetic‐, uniaxial stress‐, pressure‐, and electric‐fields) can achieve a higher energy efficiency compared with traditional gas compression techniques. Among these effects, magnetocaloric energy conversion is regarded as the best available alternative and has been exploited extensively for promising application scenarios in the last decades. This review systematically introduces the magnetocaloric effect and its applications, and summarizes the corresponding representative magnetocaloric materials, as well as important progress in recent years. Specifically, the review focuses on some key understandings of the magnetocaloric effect by utilizing state‐of‐the‐art technical tools such as synchrotron X ‐ray, neutron scattering, muon spin spectroscopy, positron annihilation spectroscopy, high magnetic fields, etc., and highlights their importance toward advanced materials design and development. An overview of the basic principles and applications of these advanced techniques on magnetocaloric materials is provided. Finally, the challenges and perspectives on further developments in this field are discussed. Further in‐depth understanding and manufacturing technology advancement combined with fast‐developed artificial intelligence and machine learning are expected to advance the magnetocaloric energy conversion technology closer to real applications. Magnetic refrigeration ; Materials science ; Engineering physics ; Nanotechnology ; Mechanical engineering ; Magnetic field ; Magnetization ; Physics ; Engineering Magnetic and transport properties of perovskites and related materials ; Ferroelectric and Piezoelectric Materials ; Advanced Condensed Matter Physics
Authors: Yalei Hu | Océane Seivert | Yue Tang | H. Enis Karahan | Alberto Bianco
Source: Angewandte Chemie International Edition (review, 2024-08-20)
Field: Materials Science — Materials Chemistry

Carbon Dot Synthesis and Purification: Trends, Challenges and Recommendations Carbon dots (CDs) have rapidly emerged as a new family of carbon-based nanomaterials since their initial discovery two decades ago. Numerous appealing properties, such as precursor and synthesis process flexibility, tunable photoluminescence, and good biocompatibility, have enabled their widespread applications in sensing, catalysis, energy, and biomedical fields. As the field expands, notable efforts have recently focused on mechanistically elucidating the structural formation and optical behavior of CDs. However, the absence of "clean" CDs presents a major obstacle to achieving a solid understanding of these aspects. Often, the claimed CDs are, in fact, a mixture of small molecules, oligomers, nano-sized aggregates, or even microparticles. Such coexistence of impurities markedly impacts the physicochemical properties of resulting CD-based mixtures, hampering the resolution of key mechanistic questions. Here, we aim to address this fundamental shortcoming of the field, going beyond the customary focus of the existing reviews that predominantly cover synthesis, optical performance, and application prospects. We begin with an overview of CD synthesis and then thoroughly examine the purification methods, including filtration, dialysis, electrophoresis, and chromatography. The insights provided here will guide the researchers towards obtaining high-quality CDs, employing proper combinations of available tools, and ultimately paving the way for more demanding applications. Nanotechnology ; Nanomaterials ; Flexibility (engineering) ; Materials science ; Computer science ; Biochemical engineering ; Engineering Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Melih Yilmaz | William E. Fondrie | Wout Bittremieux | Carlo Melendez | Rowan Nelson | Varun Ananth | Sewoong Oh | William Stafford Noble
Source: Nature Communications (article, 2024-07-30)
Field: Chemistry — Spectroscopy

Sequence-to-sequence translation from mass spectra to peptides with a transformer model A fundamental challenge in mass spectrometry-based proteomics is the identification of the peptide that generated each acquired tandem mass spectrum. Approaches that leverage known peptide sequence databases cannot detect unexpected peptides and can be impractical or impossible to apply in some settings. Thus, the ability to assign peptide sequences to tandem mass spectra without prior information-de novo peptide sequencing-is valuable for tasks including antibody sequencing, immunopeptidomics, and metaproteomics. Although many methods have been developed to address this problem, it remains an outstanding challenge in part due to the difficulty of modeling the irregular data structure of tandem mass spectra. Here, we describe Casanovo, a machine learning model that uses a transformer neural network architecture to translate the sequence of peaks in a tandem mass spectrum into the sequence of amino acids that comprise the generating peptide. We train a Casanovo model from 30 million labeled spectra and demonstrate that the model outperforms several state-of-the-art methods on a cross-species benchmark dataset. We also develop a version of Casanovo that is fine-tuned for non-enzymatic peptides. Finally, we demonstrate that Casanovo's superior performance improves the analysis of immunopeptidomics and metaproteomics experiments and allows us to delve deeper into the dark proteome. Computer science ; Tandem mass spectrometry ; Computational biology ; Peptide ; Leverage (statistics) ; Peptide sequence ; Proteogenomics ; Proteome ; Transformer ; Artificial intelligence ; Metaproteomics ; Mass spectrum ; Mass spectrometry ; Proteomics ; Bioinformatics ; Biology ; Chemistry ; Genomics ; Biochemistry ; Physics ; Genome Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Machine Learning in Bioinformatics
Authors: Tianbao Ye | Cheng Chen | Di Wang | Chengjie Huang | Zhiwen Yan | Yú Chen | Xian Jin | Xiuyuan Wang | Xianting Ding | Chengxing Shen
Source: Nature Communications (article, 2024-02-23)
Field: Materials Science — Materials Chemistry

Protective effects of Pt-N-C single-atom nanozymes against myocardial ischemia-reperfusion injury Effective therapeutic strategies for myocardial ischemia/reperfusion (I/R) injury remain elusive. Targeting reactive oxygen species (ROS) provides a practical approach to mitigate myocardial damage following reperfusion. In this study, we synthesize an antioxidant nanozyme, equipped with a single-Platinum (Pt)-atom (PtsaN-C), for protecting against I/R injury. PtsaN-C exhibits multiple enzyme-mimicking activities for ROS scavenging with high efficiency and stability. Mechanistic studies demonstrate that the excellent ROS-elimination performance of the single Pt atom center precedes that of the Pt cluster center, owing to its better synergistic effect and metallic electronic property. Systematic in vitro and in vivo studies confirm that PtsaN-C efficiently counteracts ROS, restores cellular homeostasis and prevents apoptotic progression after I/R injury. PtsaN-C also demonstrates good biocompatibility, making it a promising candidate for clinical applications. Our study expands the scope of single-atom nanozyme in combating ROS-induced damage and offers a promising therapeutic avenue for the treatment of I/R injury. Myocardial ischemia ; Reperfusion injury ; Ischemia ; Myocardial Reperfusion Injury ; Chemistry ; Medicine ; Pharmacology ; Cardiology Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Nanoplatforms for cancer theranostics
Authors: Hailong Yu | Zhenqing Hu | Juan He | Yijun Ran | Yang Zhao | Zhi Yu | Kaiping Tai
Source: Nature Communications (article, 2024-03-21)
Field: Materials Science — Materials Chemistry

Flexible temperature-pressure dual sensor based on 3D spiral thermoelectric Bi2Te3 films Dual-parameter pressure-temperature sensors are widely employed in personal health monitoring and robots to detect external signals. Herein, we develop a flexible composite dual-parameter pressure-temperature sensor based on three-dimensional (3D) spiral thermoelectric Bi<sub>2</sub>Te<sub>3</sub> films. The film has a (000l) texture and good flexibility, exhibiting a maximum Seebeck coefficient of -181 μV K<sup>-1</sup> and piezoresistance gauge factor of approximately -9.2. The device demonstrates a record-high temperature-sensing performance with a high sensing sensitivity (-426.4 μV K<sup>-1</sup>) and rapid response time (~0.95 s), which are better than those observed in most previous studies. In addition, owing to the piezoresistive effect in the Bi<sub>2</sub>Te<sub>3</sub> film, the 3D-spiral deviceexhibits significant pressure-response properties with a pressure-sensing sensitivity of 120 Pa<sup>-1</sup>. This innovative approach achieves high-performance dual-parameter sensing using one kind of material with high flexibility, providing insight into the design and fabrication of many applications, such as e-skin. Thermoelectric effect ; Piezoresistive effect ; Gauge factor ; Spiral (railway) ; Materials science ; Flexibility (engineering) ; Fabrication ; Sensitivity (control systems) ; Pressure sensor ; Seebeck coefficient ; Optoelectronics ; Composite number ; Nanotechnology ; Composite material ; Mechanical engineering ; Electronic engineering ; Thermal conductivity ; Physics Advanced Thermoelectric Materials and Devices ; Advanced Sensor and Energy Harvesting Materials ; Innovative Energy Harvesting Technologies
Authors: Zhenli Guo | Yanfang Bian | Longyan Zhang | Jingyu Zhang | Chengxi Sun | Dongyue Cui | Wenzhen Lv | Chao Zheng | Wei Huang | Runfeng Chen
Source: Advanced Materials (article, 2024-09-13)
Field: Materials Science — Materials Chemistry

Multi‐Stimuli‐Responsive Carbon Dots with Intrinsic Photochromism and In Situ Radical Afterglow The combination of advanced photoluminescence characteristics to photochromism is highly attractive in preparing high-performance multifunctional photo-responsive materials for optoelectronic applications. However, this is rather challenging in material design owing to the limited mechanism understanding and construction principles. Here, an effective strategy to integrate photochromism and afterglow emission in carbon dots (CDs) is proposed through embedding naphthaleneimide (NI) structure in CDs followed by polyvinylpyrrolidone (PVP) encapsulation. The NI-structured CDs-PVP shows intrinsic photochromism owing to the in situ formation of NI-radical anions and controllable multi-stimuli-responsive afterglow behaviors related to the oxygen-trigged triplet exciton quenching and Förster resonance energy transfer (FRET) from the pristine CDs to the photoactivated CDs radicals. Notably, a wide range of appearance colors from colorless to brown, luminescence color transition from blue to yellow, and much elongated afterglow lifetime up to 253 ms are observed. With the extraordinary stimuli-chromic and stimuli-luminescent CDs-PVP film dynamically responsive to multiple external stimuli, reversible secure snapchat, data encryption/decryption and synaptic imaging recognition are realized. These findings demonstrate a fundamental principle to design multi-stimuli-responsive photochromic CDs with afterglow, providing important understandings on the synergic mechanism of dynamic photochromism and emission behaviors and thereby expanding their applications in advanced information anti-counterfeiting and artificial intelligence. Photochromism ; Afterglow ; Materials science ; In situ ; Photochemistry ; Nanotechnology ; Optoelectronics ; Organic chemistry ; Chemistry Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications
Authors: Mahalakshmi Devaraji | Punniyakoti T. Veeraveedu | Karthikeyan Elumalai
Source: Biotechnology Notes (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

The potential of copper oxide nanoparticles in nanomedicine: A comprehensive review Nanotechnology is a modern scientific discipline that uses nanoparticles of metals like copper, silver, gold, platinum, and zinc for various applications. Copper oxide nanoparticles (CuONPs) are effective in biomedical settings, such as killing bacteria, speeding up reactions, stopping cancer cells, and coating surfaces. These inorganic nanostructures have a longer shelf life than their organic counterparts and are chemically inert and thermally stable. However, commercial synthesis of NPs often involves harmful byproducts and hazardous chemicals. Green synthesis for CuONPs offers numerous benefits, including being clean, harmless, economical, and environmentally friendly. Using naturally occurring organisms like bacteria, yeast, fungi, algae, and plants can make CuONPs more environmentally friendly. CuONPs are expected to be used in nanomedicine due to their potent antimicrobial properties and disinfecting agents for infectious diseases. This comprehensive review looks to evaluate research articles published in the last ten years that investigate the antioxidant, anticancer, antibacterial, wound healing, dental application and catalytic properties of copper nanoparticles generated using biological processes. Utilising the scientific approach of large-scale data analytics. However, their toxic effects on vertebrates and invertebrates raise concerns about their use for diagnostic and therapeutic purposes. Therefore, biocompatibility and non-toxicity are crucial for selecting nanoparticles for clinical research. Nanomedicine ; Nanotechnology ; Biocompatibility ; Antimicrobial ; Environmentally friendly ; Nanoparticle ; Nanobiotechnology ; Chemistry ; Materials science ; Biochemical engineering ; Biology ; Organic chemistry ; Ecology ; Engineering Nanoparticles: synthesis and applications ; Laser-Ablation Synthesis of Nanoparticles ; Graphene and Nanomaterials Applications