jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yue Liu | Dahui Liu | Xianyuan Ge | Zhengwei Yang | Shuchang Ma | Zheyi Zou | Siqi Shi
Source: Acta Physica Sinica (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

A high-quality dataset construction method for text mining in materials science Numerous data and knowledge generated and stored as text in peer-reviewed scientific literature are important for materials research and development. Although text mining can automatically explore this information, the barriers of acquiring high-quality textual data prevent its general application in materials science. Herein, we systematically analyze the issues of textual DATA QUALITY and related research from the perspectives of data quality and quantity. Following this, we propose a pipeline to construct high-quality datasets for text mining in materials science. In this pipeline, we utilize the traceable automatic acquisition scheme of literature to ensure the traceability of textual data. Then, a data processing method driven by downstream tasks is used to generate high-quality pre-annotated corpora conditioned on the characteristics of material texts. On this basis, we define a general annotation scheme derived from materials science tetrahedron to complete high-quality annotation. Finally, a conditional data augmentation model incorporating material domain knowledge (cDA-DK) is constructed to augment the data quantity. Experimental results on datasets with various material systems demonstrate that our method can effectively improve the accuracy of downstream models and the F1-score towards the named entity recognition task in NASICON-type solid electrolyte material reaches 84%. This study provides an important insight into the general application of text mining in materials science, and is expected to advance the material design and discovery driven by data and knowledge bidirectionally. Computer science ; Pipeline (software) ; Quality (philosophy) ; Information retrieval ; Data mining ; Domain (mathematical analysis) ; Construct (python library) ; Knowledge extraction ; Data science ; Traceability ; Natural language processing ; Software engineering Machine Learning in Materials Science ; Topic Modeling ; Data Quality and Management
Authors: Bohua Zhang | Xiaoning Jiang
Source: IEEE Open Journal of Nanotechnology (article, 2023-01-01)
Field: Materials Science — Biomaterials

Magnetic Nanoparticles Mediated Thrombolysis–A Review Nanoparticles containing thrombolytic medicines have been developed for thrombolysis applications in response to the increasing demand for effective, targeted treatment of thrombosis disease. In recent years, there has been a great deal of interest in nanoparticles that can be navigated and driven by a magnetic field. However, there are few review publications concerning the application of magnetic nanoparticles in thrombolysis. In this study, we examine the current state of magnetic nanoparticles in the application of <i>in vitro</i> and <i>in vivo</i> thrombolysis under a static or dynamic magnetic field, as well as the combination of magnetic nanoparticles with an acoustic field for dual-mode thrombolysis. We also discuss four primary processes of magnetic nanoparticles mediated thrombolysis, including magnetic nanoparticle targeting, magnetic nanoparticle trapping, magnetic drug release, and magnetic rupture of blood clot fibrin networks. This review will offer unique insights for the future study and clinical development of magnetic nanoparticles mediated thrombolysis approaches. Thrombolysis ; Magnetic nanoparticles ; Nanoparticle ; Medicine ; Nanotechnology ; Materials science ; Internal medicine ; Myocardial infarction Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Cerebrovascular and Carotid Artery Diseases
Authors: Lei Zhu | Donglei Liu | Xin Luo | Jingxiang Zhou | Junjie Zheng | Ciyi Lai
Source: Polymer Engineering and Science (article, 2023-06-26)
Field: Materials Science — Polymers and Plastics

Preparation and characterization of thermo‐responsive shape memory polycaprolactone/poly(ethylene‐co‐octene) blends for <scp>4D</scp> printing Abstract This work focuses on the development of a novel thermo‐responsive shape memory polymer (SMP) for 4D printing by blending polycaprolactone (PCL) and poly(ethylene‐co‐octene) (POE) in various proportions. The SEM images of PCL/POE blends indicate an improvement in phase compatibility with increasing POE content and the formation of a co‐continuous structure. Based on the analysis of DSC curves, the range of transition temperature ( T trans ) was determined to be 55–60°C. Among the tested blends, PCL4/POE6 exhibits the most optimal shape memory performance, in which the shape fixation and recovery rates are above 90% and remain stable even after 10‐cycle testing. It indicates that the formation of co‐continuous phases shows a significant enhancement of shape memory properties. Subsequently, the 3D printing parameters were verified there is no obvious effect on shape memory performance. The network filling method was found to be suitable for printing, and the shape memory performance degraded after the layer thickness exceeded 0.22 mm. To sum up, the results can provide valuable insights and assistance for the development and application of materials with similar shape memory characteristics. Materials science ; Polycaprolactone ; Shape-memory alloy ; Compatibility (geochemistry) ; Shape-memory polymer ; Composite material ; Octene ; Polymer ; Ethylene ; Characterization (materials science) ; Chemical engineering ; Nanotechnology ; Copolymer ; Organic chemistry Polymer composites and self-healing ; Advanced Materials and Mechanics ; Conducting polymers and applications
Authors: José Luis Núñez‐Rico | Juanjo Cabezas‐Giménez | Vanesa Lillo | Salvador R. G. Balestra | José Ramón Galán‐Mascarós | Sofı́a Calero | Anton Vidal‐Ferran
Source: ACS Applied Materials & Interfaces (article, 2023-08-14)
Field: Chemistry — Inorganic Chemistry

<b>TAMOF-1</b> as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures Metal-organic frameworks (MOFs) have become promising materials for multiple applications due to their controlled dimensionality and tunable properties. The incorporation of chirality into their frameworks opens new strategies for chiral separation, a key technology in the pharmaceutical industry as each enantiomer of a racemic drug must be isolated. Here, we describe the use of a combination of computational modeling and experiments to demonstrate that high-performance liquid chromatography (HPLC) columns packed with <b>TAMOF-1</b> as the chiral stationary phase are efficient, versatile, robust, and reusable with a wide array of mobile phases (polar and non-polar). As proof of concept, in this article, we report the resolution with <b>TAMOF-1</b> HPLC columns of nine racemic mixtures with different molecular sizes, geometries, and functional groups. Initial <i>in silico</i> studies allowed us to predict plausible separations in chiral compounds from different families, including terpenes, calcium channel blockers, or <i>P</i>-stereogenic compounds. The experimental data confirmed the validity of the models and the robust performance of <b>TAMOF-1</b> columns. The added value of <i>in silico</i> screening is an unprecedented achievement in chiral chromatography. Stereocenter ; Chirality (physics) ; Materials science ; Chiral column chromatography ; Enantiomer ; Resolution (logic) ; High-performance liquid chromatography ; Curse of dimensionality ; Chiral resolution ; Phase (matter) ; Combinatorial chemistry ; Nanotechnology ; Chromatography ; Enantioselective synthesis ; Organic chemistry ; Chemistry ; Computer science ; Machine learning ; Artificial intelligence ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Analytical Chemistry and Chromatography ; Crystallography and molecular interactions
Authors: Carmen Mijangos | Jaime Martín
Source: Polymers (review, 2023-01-19)
Field: Materials Science — Materials Chemistry

Polymerization within Nanoporous Anodized Alumina Oxide Templates (AAO): A Critical Survey In the last few years, the polymerization of monomers within the nanocavities of porous materials has been thoroughly studied and developed, allowing for the synthesis of polymers with tailored morphologies, chemical architectures and functionalities. This is thus a subject of paramount scientific and technological relevance, which, however, has not previously been analyzed from a general perspective. The present overview reports the state of the art on polymerization reactions in spatial confinement within porous materials, focusing on the use of anodized aluminum oxide (AAO) templates. It includes the description of the AAO templates used as nanoreactors. The polymerization reactions are categorized based on the polymerization mechanism. Amongst others, this includes electrochemical polymerization, free radical polymerization, step polymerization and atom transfer radical polymerization (ATRP). For each polymerization mechanism, a further subdivision is made based on the nature of the monomer used. Other aspects of "in situ" polymerization reactions in restricted AAO geometries include: conversion monitoring, kinetic studies, modeling and polymer characterization. In addition to the description of the polymerization process itself, the use of polymer materials derived from polymerization in AAO templates in nanotechnology applications, is also highlighted. Finally, the review is concluded with a general discussion outlining the challenges that remain in the field. Polymerization ; Materials science ; Nanoporous ; Chain-growth polymerization ; Radical polymerization ; Reversible addition−fragmentation chain-transfer polymerization ; Polymer ; Precipitation polymerization ; Ionic polymerization ; Bulk polymerization ; Nanotechnology ; Chemical engineering ; Polymer chemistry ; Composite material Anodic Oxide Films and Nanostructures ; Corrosion Behavior and Inhibition ; Semiconductor materials and devices
Authors: Rui Yang | Zhenghong Bao | Yifan Sun
Source: ACS Nanoscience Au (review, 2023-01-27)
Field: Materials Science — Materials Chemistry

Probing and Leveraging the Structural Heterogeneity of Nanomaterials for Enhanced Catalysis The marriage between nanoscience and heterogeneous catalysis has introduced transformative opportunities for accessing better nanocatalysts. However, the structural heterogeneity of nanoscale solids stemming from distinct atomic configurations makes it challenging to realize atomic-level engineering of nanocatalysts in the way that is attained for homogeneous catalysis. Here, we discuss recent efforts in unveiling and exploiting the structural heterogeneity of nanomaterials for enhanced catalysis. Size and facet control of nanoscale domains produce well-defined nanostructures that facilitate mechanistic studies. Differentiation of surface and bulk characteristics for ceria-based nanocatalysts guides new thoughts toward lattice oxygen activation. Manipulating the compositional and species heterogeneity between local and average structures allows regulation of catalytically active sites via the ensemble effect. Studies on catalyst restructurings further highlight the necessity to assess the reactivity and stability of nanocatalysts under reaction conditions. These advances promote the development of novel nanocatalysts with expanded functionalities and bring atomistic insights into heterogeneous catalysis. Nanomaterial-based catalyst ; Nanotechnology ; Catalysis ; Nanomaterials ; Heterogeneous catalysis ; Nanostructure ; Homogeneous ; Materials science ; Nanoscopic scale ; Biochemical engineering ; Chemistry ; Nanoparticle ; Physics ; Engineering ; Statistical physics Catalytic Processes in Materials Science ; Advanced Photocatalysis Techniques ; Electrocatalysts for Energy Conversion
Authors: Shuqi Han | Siyuan Zhou | Linyu Mei | Miaoli Guo | Huiyi Zhang | Qiannan Li | Shuai Zhang | Yaokai Niu | Yan Zhuang | Wenping Geng | Kaixi Bi | Xiujian Chou
Source: Nanomaterials (article, 2023-03-19)
Field: Materials Science — Materials Chemistry

Nanoelectromechanical Temperature Sensor Based on Piezoresistive Properties of Suspended Graphene Film The substrate impurities scattering will lead to unstable temperature-sensitive behavior and poor linearity in graphene temperature sensors. And this can be weakened by suspending the graphene structure. Herein, we report a graphene temperature sensing structure, with suspended graphene membranes fabricated on the cavity and non-cavity SiO<sub>2</sub>/Si substrate, using monolayer, few-layer, and multilayer graphene. The results show that the sensor provides direct electrical readout from temperature to resistance transduction by the nano piezoresistive effect in graphene. And the cavity structure can weaken the substrate impurity scattering and thermal resistance effect, which results in better sensitivity and wide-range temperature sensing. In addition, monolayer graphene is almost no temperature sensitivity. And the few-layer graphene temperature sensitivity, lower than that of the multilayer graphene cavity structure (3.50%/°C), is 1.07%/°C. This work demonstrates that piezoresistive in suspended graphene membranes can effectively enhance the sensitivity and widen the temperature sensor range in NEMS temperature sensors. Graphene ; Materials science ; Piezoresistive effect ; Substrate (aquarium) ; Graphene nanoribbons ; Optoelectronics ; Nanotechnology ; Nanoelectromechanical systems ; Monolayer ; Atmospheric temperature range ; Graphene oxide paper ; Scattering ; Optics ; Nanoparticle Graphene research and applications ; Advanced Sensor and Energy Harvesting Materials ; Gas Sensing Nanomaterials and Sensors
Authors: Zhoulong Fan | Daniel A. Strassfeld | Han Seul Park | Kevin Wu | Jin‐Quan Yu
Source: Angewandte Chemie International Edition (article, 2023-04-13)
Field: Chemistry — Organic Chemistry

Formal <i>γ</i>−C−H Functionalization of Cyclobutyl Ketones: Synthesis of <i>cis</i>‐1,3‐Difunctionalized Cyclobutanes 1,3-Difunctionalized cyclobutanes are an emerging scaffold in medicinal chemistry that can confer beneficial pharmacological properties to small-molecule drug candidates. However, the diastereocontrolled synthesis of these compounds typically requires complicated synthetic routes, indicating a need for novel methods. Here, we report a sequential C-H/C-C functionalization strategy for the stereospecific synthesis of cis-γ-functionalized cyclobutyl ketones from readily available cyclobutyl aryl ketones. Specifically, a bicyclo[1.1.1]pentan-2-ol intermediate is generated from the parent cyclobutyl ketone via an optimized Norrish-Yang procedure. This intermediate then undergoes a ligand-enabled, palladium-catalyzed C-C cleavage/functionalization to produce valuable cis-γ-(hetero)arylated, alkenylated, and alkynylated cyclobutyl aryl ketones, the benzoyl moiety of which can subsequently be converted to a wide range of functional groups including amides and esters. Cyclobutanes ; Surface modification ; Chemistry ; Organic chemistry ; Catalysis ; Cycloaddition Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Cyclopropane Reaction Mechanisms
Authors: Ting Luo | Zhen Zhang | Junbo Xu | Hanxiong Liu | Lin Cai | Gang Huang | Chunbin Wang | Yingzhong Chen | Xia Long | Xunshi Ding | Jin Wang | Xin Li
Source: Frontiers in Bioengineering and Biotechnology (review, 2023-06-19)
Field: Materials Science — Biomaterials

Atherosclerosis treatment with nanoagent: potential targets, stimulus signals and drug delivery mechanisms Cardiovascular disease (CVDs) is the first killer of human health, and it caused up at least 31% of global deaths. Atherosclerosis is one of the main reasons caused CVDs. Oral drug therapy with statins and other lipid-regulating drugs is the conventional treatment strategies for atherosclerosis. However, conventional therapeutic strategies are constrained by low drug utilization and non-target organ injury problems. Micro-nano materials, including particles, liposomes, micelles and bubbles, have been developed as the revolutionized tools for CVDs detection and drug delivery, specifically atherosclerotic targeting treatment. Furthermore, the micro-nano materials also could be designed to intelligently and responsive targeting drug delivering, and then become a promising tool to achieve atherosclerosis precision treatment. This work reviewed the advances in atherosclerosis nanotherapy, including the materials carriers, target sites, responsive model and treatment results. These nanoagents precisely delivery the therapeutic agents to the target atherosclerosis sites, and intelligent and precise release of drugs, which could minimize the potential adverse effects and be more effective in atherosclerosis lesion. Drug ; Drug delivery ; Medicine ; Targeted drug delivery ; Liposome ; Pharmacology ; Adverse effect ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Advanced Nanomaterials in Catalysis
Authors: Chen-Yow Wang | Nodali Ndraha | Ren-Siang Wu | Hsin‐Yun Liu | Sin-Wei Lin | Kuang-Min Yang | Hung‐Yun Lin
Source: International Journal of Molecular Sciences (review, 2023-11-21)
Field: Materials Science — Materials Chemistry

An Overview of the Potential of Food-Based Carbon Dots for Biomedical Applications Food-based carbon dots (CDs) hold significant importance across various fields, ranging from biomedical applications to environmental and food industries. These CDs offer unique advantages over traditional carbon nanomaterials, including affordability, biodegradability, ease of operation, and multiple bioactivities. This work aims to provide a comprehensive overview of recent developments in food-based CDs, focusing on their characteristics, properties, therapeutic applications in biomedicine, and safety assessment methods. The review highlights the potential of food-based CDs in biomedical applications, including antibacterial, antifungal, antivirus, anticancer, and anti-immune hyperactivity. Furthermore, current strategies employed for evaluating the safety of food-based CDs have also been reported. In conclusion, this review offers valuable insights into their potential across diverse sectors and underscores the significance of safety assessment measures to facilitate their continued advancement and application. Biomedicine ; Nanotechnology ; Food safety ; Risk analysis (engineering) ; Computer science ; Biochemical engineering ; Biotechnology ; Business ; Engineering ; Medicine ; Materials science ; Biology ; Bioinformatics Carbon and Quantum Dots Applications ; Graphene and Nanomaterials Applications ; Heavy Metal Exposure and Toxicity
Authors: Qilong Zhao | Xuemin Du | Min Wang
Source: Advanced Biology (review, 2023-05-11)
Field: Materials Science — Biomaterials

Electrospinning and Cell Fibers in Biomedical Applications Human body tissues such as muscle, blood vessels, tendon/ligaments, and nerves have fiber-like fascicle morphologies, where ordered organization of cells and extracellular matrix (ECM) within the bundles in specific 3D manners orchestrates cells and ECM to provide tissue functions. Through engineering cell fibers (which are fibers containing living cells) as living building blocks with the help of emerging "bottom-up" biomanufacturing technologies, it is now possible to reconstitute/recreate the fiber-like fascicle morphologies and their spatiotemporally specific cell-cell/cell-ECM interactions in vitro, thereby enabling the modeling, therapy, or repair of these fibrous tissues. In this article, a concise review is provided of the "bottom-up" biomanufacturing technologies and materials usable for fabricating cell fibers, with an emphasis on electrospinning that can effectively and efficiently produce thin cell fibers and with properly designed processes, 3D cell-laden structures that mimic those of native fibrous tissues. The importance and applications of cell fibers as models, therapeutic platforms, or analogs/replacements for tissues for areas such as drug testing, cell therapy, and tissue engineering are highlighted. Challenges, in terms of biomimicry of high-order hierarchical structures and complex dynamic cellular microenvironments of native tissues, as well as opportunities for cell fibers in a myriad of biomedical applications, are discussed. Biomanufacturing ; Biofabrication ; Extracellular matrix ; Tissue engineering ; Electrospinning ; Nanotechnology ; Cell ; Materials science ; Biomedical engineering ; Cell biology ; Chemistry ; Biology ; Engineering Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; 3D Printing in Biomedical Research
Authors: D. Alex Crowder | Vladimir Sarpe | B.C. do Amaral | Nicholas I. Brodie | Andrew R. M. Michael | David C. Schriemer
Source: Analytical Chemistry (article, 2023-04-06)
Field: Chemistry — Spectroscopy

High-Sensitivity Proteome-Scale Searches for Crosslinked Peptides Using CRIMP 2.0 Crosslinking mass spectrometry (XL-MS) is a valuable technique for generating point-to-point distance measurements in protein space. However, cell-based XL-MS experiments require efficient software that can detect crosslinked peptides with sensitivity and controlled error rates. Many algorithms implement a filtering strategy designed to reduce the size of the database prior to mounting a search for crosslinks, but concern has been expressed over the possibility of reduced sensitivity using these strategies. We present a new scoring method that uses a rapid presearch method and a concept inspired by computer vision algorithms to resolve crosslinks from other conflicting reaction products. Searches of several curated crosslink datasets demonstrate high crosslink detection rates, and even the most complex proteome-level searches (using cleavable or noncleavable crosslinkers) can be completed efficiently on a conventional desktop computer. The detection of protein-protein interactions is increased twofold through the inclusion of compositional terms in the scoring equation. The combined functionality is made available as CRIMP 2.0 in the Mass Spec Studio. Chemistry ; Crimp ; Proteome ; Sensitivity (control systems) ; Scale (ratio) ; Chromatography ; Biochemistry Advanced Proteomics Techniques and Applications ; Machine Learning in Bioinformatics ; vaccines and immunoinformatics approaches