jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bárbara B. Mendes | Zilu Zhang | João Conniot | Diana P. Sousa | João M. J. M. Ravasco | Lauren A. Onweller | Andżelika Lorenc | Tiago Rodrigues | Daniel Reker | João Conde
Source: Nature Nanotechnology (article, 2024-05-15)
Field: Materials Science — Biomaterials

A large-scale machine learning analysis of inorganic nanoparticles in preclinical cancer research Nanoparticle ; Scale (ratio) ; Nanotechnology ; Computer science ; Cancer ; Materials science ; Medicine ; Physics ; Internal medicine Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoparticles: synthesis and applications
Authors: Тетяна Татарчук
Source: Nanomaterials (review, 2024-10-12)
Field: Materials Science — Materials Chemistry

Studying the Defects in Spinel Compounds: Discovery, Formation Mechanisms, Classification, and Influence on Catalytic Properties Spinel ferrites demonstrate extensive applications in different areas, like electrodes for electrochemical devices, gas sensors, catalysts, and magnetic adsorbents for environmentally important processes. However, defects in the real spinel structure can change the many physical and chemical properties of spinel ferrites. Although the number of defects in a crystal spinel lattice is small, their influence on the vast majority of physical properties could be really decisive. This review provides an overview of the structural characteristics of spinel compounds (e.g., CoFe<sub>2</sub>O<sub>4</sub>, NiFe<sub>2</sub>O<sub>4</sub>, ZnFe<sub>2</sub>O<sub>4</sub>, Fe<sub>3</sub>O<sub>4</sub>, γ-Fe<sub>2</sub>O<sub>3</sub>, Co<sub>3</sub>O<sub>4</sub>, Mn<sub>3</sub>O<sub>4</sub>, NiCo<sub>2</sub>O<sub>4</sub>, ZnCo<sub>2</sub>O<sub>4</sub>, Co<sub>2</sub>MnO<sub>4</sub>, etc.) and examines the influence of defects on their properties. Attention was paid to the classification (0D, 1D, 2D, and 3D defects), nomenclature, and the formation of point and surface defects in ferrites. An in-depth description of the defects responsible for the physicochemical properties and the methodologies employed for their determination are presented. DFT as the most common simulation approach is described in relation to modeling the point defects in spinel compounds. The significant influence of defect distribution on the magnetic interactions between cations, enhancing magnetic properties, is highlighted. The main defect-engineering strategies (direct synthesis and post-treatment) are described. An antistructural notation of active centers in spinel cobalt ferrite is presented. It is shown that the introduction of cations with different charges (e.g., Cu(I), Mn(II), Ce(III), or Ce(IV)) into the cobalt ferrite spinel matrix results in the formation of various point defects. The ability to predict the type of defects and their impact on material properties is the basis of defect engineering, which is currently an extremely promising direction in modern materials science. Spinel ; Crystallographic defect ; Materials science ; Cobalt ; Ferrite (magnet) ; Catalysis ; Chemical engineering ; Chemical physics ; Nanotechnology ; Metallurgy ; Chemistry ; Crystallography ; Composite material Magnetic Properties and Synthesis of Ferrites ; Multiferroics and related materials ; Electromagnetic wave absorption materials
Authors: Kangkang Ge | Hui Shao | Zifeng Lin | Pierre‐Louis Taberna | Patrice Simon
Source: Nature Nanotechnology (review, 2024-12-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advanced characterization of confined electrochemical interfaces in electrochemical capacitors Capacitor ; Electrolyte ; Energy storage ; Materials science ; Electrochemistry ; Nanotechnology ; Characterization (materials science) ; Electrode ; Electrochemical energy conversion ; Supercapacitor ; Nanoscopic scale ; Voltage ; Chemistry ; Electrical engineering ; Physics Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Advanced battery technologies research
Authors: Kostas Parkatzidis | Hyun Suk Wang | Athina Anastasaki
Source: Angewandte Chemie International Edition (article, 2024-03-11)
Field: Chemistry — Organic Chemistry

Photocatalytic Upcycling and Depolymerization of Vinyl Polymers Photocatalytic upcycling and depolymerization of vinyl polymers have emerged as promising strategies to combat plastic pollution and promote a circular economy. This mini review critically summarizes current developments in the upcycling and degradation of vinyl polymers including polystyrene and poly(meth)acrylates. Of these material classes, polymethacrylates possess the unique possibility to undergo a photocatalytic depolymerization back to monomer under thermodynamically favourable conditions, thus presenting significant advantages over traditional thermal strategies. Our perspective on current formidable challenges and potential future directions are also discussed. Depolymerization ; Photocatalysis ; Vinyl polymer ; Polymer ; Materials science ; Polystyrene ; Monomer ; Polymer science ; Nanotechnology ; Polymer chemistry ; Organic chemistry ; Chemistry ; Catalysis ; Composite material Advanced Polymer Synthesis and Characterization ; Microplastics and Plastic Pollution ; biodegradable polymer synthesis and properties
Authors: Tianjun Ma | Ning Xue | Abdul Muhammad | Gang Fang | Jinyao Yan | Rongkun Chen | Jianhai Sun | Xuguang Sun
Source: Micromachines (review, 2024-10-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Progress in Photodetectors: From Materials to Structures and Applications Photodetectors are critical components in a wide range of applications, from imaging and sensing to communications and environmental monitoring. Recent advancements in material science have led to the development of emerging photodetecting materials, such as perovskites, polymers, novel two-dimensional materials, and quantum dots, which offer unique optoelectronic properties and high tunability. This review presents a comprehensive overview of the synthesis methodologies for these cutting-edge materials, highlighting their potential to enhance photodetection performance. Additionally, we explore the design and fabrication of photodetectors with novel structures and physics, emphasizing devices that achieve high figure-of-merit parameters, such as enhanced sensitivity, fast response times, and broad spectral detection. Finally, we discuss the demonstration of new applications enabled by these advanced photodetectors, including flexible and wearable devices, next-generation imaging systems, and environmental sensing technologies. Through this review, we aim to provide insights into the current trends and future directions in the field of photodetection, guiding further research and development in this rapidly evolving area. Photodetection ; Photodetector ; Materials science ; Computer science ; Nanotechnology ; Wearable computer ; Optoelectronics ; Embedded system Ga2O3 and related materials ; Perovskite Materials and Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Yufei Ma | Yahui Liu | Ying He | Shunda Qiao | Haiyue Sun
Source: Light Advanced Manufacturing (article, 2024-10-11)
Field: Chemistry — Spectroscopy

Design of multipass cell with dense spot patterns and its performance in a light-induced thermoelastic spectroscopy-based methane sensor In this study, a ray tracing model based on the law of reflection in vector form was developed to obtain the design parameters of multipass cells (MPC) with dense spot patterns.Four MPCs with distinct patterns were obtained using an established mathematical model.An MPC with a four-concentric-circle pattern exhibited the longest optical path length (OPL) of approximately 38 m and an optimal ratio of optical path length to volume (RLV) of 13.8 cm -2 .A light-induced thermoelastic spectroscopy (LITES)-based methane (CH 4 ) sensor was constructed for the first time using the developed optimal MPC and Raman fiber amplifier (RFA).A novel trapezoidal-tip quartz tuning fork (QTF) was used as the detector to further improve the sensing performance.The CH 4 -LITES sensor exhibited an excellent linear response to optical power and CH 4 concentration.The minimum detection limit (MDL) of the CH 4 -LITES sensor reached 322 ppb when the output optical power of the RFA was 350 mW.The Allan deviation of the system indicated that the MDL decreased to 59.5 ppb when the average time was increased to 100 s. Thermoelastic damping ; Methane ; Materials science ; Spectroscopy ; Optics ; Optoelectronics ; Physics ; Chemistry ; Thermal ; Astronomy ; Thermodynamics Spectroscopy and Laser Applications ; Advanced Chemical Sensor Technologies ; Photoacoustic and Ultrasonic Imaging
Authors: Chengxin Dai | Julianus Pfeuffer | Hong Wang | Ping Zheng | Lukas Käll | Timo Sachsenberg | Vadim Demichev | Mingze Bai | Oliver Kohlbacher | Yasset Pérez‐Riverol
Source: Nature Methods (article, 2024-07-04)
Field: Chemistry — Spectroscopy

quantms: a cloud-based pipeline for quantitative proteomics enables the reanalysis of public proteomics data The volume of public proteomics data is rapidly increasing, causing a computational challenge for large-scale reanalysis. Here, we introduce quantms ( https://quant,ms.org/ ), an open-source cloud-based pipeline for massively parallel proteomics data analysis. We used quantms to reanalyze 83 public ProteomeXchange datasets, comprising 29,354 instrument files from 13,132 human samples, to quantify 16,599 proteins based on 1.03 million unique peptides. quantms is based on standard file formats improving the reproducibility, submission and dissemination of the data to ProteomeXchange. Proteomics ; Cloud computing ; Pipeline (software) ; Computational biology ; Quantitative proteomics ; Computer science ; Data science ; Biology ; Gene ; Biochemistry Advanced Proteomics Techniques and Applications ; Scientific Computing and Data Management ; Genetics, Bioinformatics, and Biomedical Research
Authors: Tingting Qin | Xiaolong Zhao | Yiming Sui | Dong Wang | Weicheng Chen | Yingguang Zhang | Shijing Luo | Wending Pan | Zhenbin Guo | Dennis Y.C. Leung
Source: Advanced Materials (review, 2024-06-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Heterointerfaces: Unlocking Superior Capacity and Rapid Mass Transfer Dynamics in Energy Storage Electrodes Heterogeneous electrode materials possess abundant heterointerfaces with a localized "space charge effect", which enhances capacity output and accelerates mass/charge transfer dynamics in energy storage devices (ESDs). These promising features open new possibilities for demanding applications such as electric vehicles, grid energy storage, and portable electronics. However, the fundamental principles and working mechanisms that govern heterointerfaces are not yet fully understood, impeding the rational design of electrode materials. In this study, the heterointerface evolution during charging and discharging process as well as the intricate interaction between heterointerfaces and charge/mass transport phenomena, is systematically discussed. Guidelines along with feasible strategies for engineering structural heterointerfaces to address specific challenges encountered in various application scenarios, are also provided. This review offers innovative solutions for the development of heterogeneous electrode materials, enabling more efficient energy storage beyond conventional electrochemistry. Furthermore, it provides fresh insights into the advancement of clean energy conversion and storage technologies. This review contributes to the knowledge and understanding of heterointerfaces, paving the way for the design and optimization of next-generation energy storage materials for a sustainable future. Materials science ; Energy storage ; Electrode ; Mass transfer ; Nanotechnology ; Energy transfer ; Engineering physics ; Mechanics ; Thermodynamics ; Physical chemistry Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advancements in Battery Materials
Authors: Laura Rijns | Matthew B. Baker | Patricia Y. W. Dankers
Source: Journal of the American Chemical Society (article, 2024-06-18)
Field: Materials Science — Biomaterials

Using Chemistry To Recreate the Complexity of the Extracellular Matrix: Guidelines for Supramolecular Hydrogel–Cell Interactions Hydrogels have emerged as a promising class of extracellular matrix (ECM)-mimicking materials in regenerative medicine. Here, we briefly describe current state-of-the-art of ECM-mimicking hydrogels, ranging from natural to hybrid to completely synthetic versions, giving the prelude to the importance of supramolecular interactions to make true ECM mimics. The potential of supramolecular interactions to create ECM mimics for cell culture is illustrated through a focus on two different supramolecular hydrogel systems, both developed in our laboratories. We use some recent, significant findings to present important design principles underlying the cell-material interaction. To achieve cell spreading, we propose that slow molecular dynamics (monomer exchange within fibers) is crucial to ensure the robust incorporation of cell adhesion ligands within supramolecular fibers. Slow bulk dynamics (stress-relaxation─fiber rearrangements, τ<sub>1/2</sub> ≈ 1000 s) is required to achieve cell spreading in soft gels (<1 kPa), while gel stiffness overrules dynamics in stiffer gels. Importantly, this resonates with the findings of others which specialize in different material types: cell spreading is impaired in case substrate relaxation occurs faster than clutch binding and focal adhesion lifetime. We conclude with discussing considerations and limitations of the supramolecular approach as well as provide a forward thinking perspective to further understand supramolecular hydrogel-cell interactions. Future work may utilize the presented guidelines underlying cell-material interactions to not only arrive at the next generation of ECM-mimicking hydrogels but also advance other fields, such as bioelectronics, opening up new opportunities for innovative applications. Chemistry ; Supramolecular chemistry ; Extracellular matrix ; Matrix (chemical analysis) ; Biophysics ; Nanotechnology ; Molecule ; Organic chemistry ; Biochemistry ; Chromatography Supramolecular Self-Assembly in Materials ; Hydrogels: synthesis, properties, applications ; Photochromic and Fluorescence Chemistry
Authors: Yumiao Tian | Pengfei Hou | Huiwen Zhang | Yu Xie | Gang Chen | Quan Li | Fei Du | Aleksandra Vojvodić | Jianzhong Wu | Xing Meng
Source: Nature Communications (article, 2024-11-21)
Field: Materials Science — Materials Chemistry

Theoretical insights on potential-dependent oxidation behaviors and antioxidant strategies of MXenes Significant efforts have been devoted to investigating the oxidation of MXenes in various environments. However, the underlying mechanism of MXene oxidation and its dependence on the electrode potential remain poorly understood. Here we show the oxidation behavior of MXenes under the working conditions of electrochemical processes in terms of kinetics and thermodynamics by using constant-potential ab initio simulations. The theoretical results indicate that the potential effects can be attributed to the nucleophilic attack of water molecules on metal atoms, similar to that taking place in the Oxygen Evolution Reaction. Building upon these findings, we deduced the oxidation potential of the common MXenes, and proposed antioxidant strategies for MXene. Finally, we demonstrated that MBenes, the boron analogs of MXenes, may undergo a similar nucleophilic attack in water and inferred that molecule-induced Walden inversion is widely present in material reconstructions. This work contributes to a fundamental understanding MXene stability at the atomic level, and promotes the transition in materials discovery from trial-and-error synthesis to rational design. MXenes ; Nucleophile ; Electrochemistry ; Chemical physics ; Ab initio ; Mechanism (biology) ; Chemistry ; Computational chemistry ; Materials science ; Electrode ; Nanotechnology ; Physical chemistry ; Physics ; Catalysis ; Organic chemistry MXene and MAX Phase Materials ; 2D Materials and Applications ; Advanced Photocatalysis Techniques
Authors: Zhongxin Ping | Fang Xie | Xiaobo Gong | Fenghua Zhang | Jie Zheng | Yanju Liu | Jinsong Leng
Source: Advanced Functional Materials (article, 2024-04-09)
Field: Materials Science — Polymers and Plastics

Tailoring Photoweldable Shape Memory Polyurethane with Intrinsic Photothermal / Fluorescence Via Engineering Metal‐Phenolic Systems Abstract Multifunctional shape memory polymers are significant for next‐generation intelligent systems as smart materials. However, their practical applications are limited by toughness, manufacturability, and functional integration strategies. Besides, while 4D printing is used to construct deformable devices, the limited accessible shapes and difficulty of integrating multiple materials hindered the development of multifunctional devices. Herein, metal‐phenolic coordination is used as crosslinks to tailor tough shape memory polyurethanes with intrinsic photothermal effect and/or tunable fluorescence. The reversible dissociation of metal‐phenolic complexes upon loading provides an efficient energy dissipation for the polymer network. The photothermal/fluorescent properties of target polyurethane can be effortlessly programmed by changing the coordinated metals and functional ligands. The obtained fluorescent polyurethane displays tunable fluorescence through the reversible dissociation‐association of dynamic bonds upon thermal stimulus. Moreover, relying on light‐triggered hybrid exchange reactions among various metal‐phenolic coordination bonds, heterogeneous interfaces can be merged to manufacture exquisite 3D shape‐shifting devices and integrate more advanced functions. As demonstrations, intrinsic photothermal‐responsive shape memory stent, and 3D fluorescent encryption device are produced based on photo‐welding instead of 4D printing. This study not only provides a convenient supramolecular strategy for constructing multifunctional smart materials but also demonstrates a feasible method for making personalized integrated architectures. Materials science ; Smart material ; Nanotechnology ; Photothermal therapy ; Shape-memory alloy ; Fluorescence ; Supramolecular chemistry ; Polymer ; Polyurethane ; Dissociation (chemistry) ; Smart polymer ; Shape-memory polymer ; Molecule ; Composite material Polymer composites and self-healing ; Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications
Authors: Junhua Wang | Chongyang You | Yanwei Xu | Tancheng Xie | Yì Wáng
Source: Micromachines (review, 2024-09-30)
Field: Materials Science — Biomaterials

Research Advances in Electrospun Nanofiber Membranes for Non-Invasive Medical Applications Non-invasive medical nanofiber technology, characterized by its high specific surface area, biocompatibility, and porosity, holds significant potential in various medical domains, including tissue repair and biosensing. It is increasingly becoming central to healthcare by offering safer and more efficient treatment options for contemporary medicine. Numerous studies have explored non-invasive medical nanofibers in recent years, yet a comprehensive overview of the field remains lacking. In this paper, we provide a comprehensive summary of the applications of electrospun nanofibers in non-invasive medical fields, considering multiple aspects and perspectives. Initially, we introduce electrospinning nanofibers. Subsequently, we detail their applications in non-invasive health, including health monitoring, personal protection, thermal regulation, and wound care, highlighting their critical role in improving human health. Lastly, this paper discusses the current challenges associated with electrospun nanofibers and offers insights into potential future development trajectories. Nanofiber ; Electrospinning ; Nanotechnology ; Medical device ; Biocompatibility ; Health care ; Human health ; Materials science ; Medicine ; Biomedical engineering ; Polymer Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Anubhav Jain
Source: Current Opinion in Solid State and Materials Science (article, 2024-09-11)
Field: Materials Science — Materials Chemistry

Machine learning in materials research: Developments over the last decade and challenges for the future The number of studies that apply machine learning (ML) to materials science has been growing at a rate of approximately 1.67 times per year over the past decade. In this review, I examine this growth in various contexts. First, I present an analysis of the most commonly used tools (software, databases, materials science methods, and ML methods) used within papers that apply ML to materials science. The analysis demonstrates that despite the growth of deep learning techniques, the use of classical machine learning is still dominant as a whole. It also demonstrates how new research can effectively build upon past research, particular in the domain of ML models trained on density functional theory calculation data. Next, I present the progression of best scores as a function of time on the matbench materials science benchmark for formation enthalpy prediction. In particular, a dramatic improvement of 7 times reduction in error is obtained when progressing from feature-based methods that use conventional ML (random forest, support vector regression, etc. ) to the use of graph neural network techniques. Finally, I provide views on future challenges and opportunities, focusing on data size and complexity, extrapolation, interpretation, access, and relevance. Engineering ethics ; Data science ; Engineering ; Computer science Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Advanced Materials Characterization Techniques
Authors: Yaohui Xu | Yang Zhou | Yuting Li | Yechen Hao | Pingkeng Wu | Zhao Ding
Source: Molecules (article, 2024-05-27)
Field: Materials Science — Materials Chemistry

Magnesium-Based Hydrogen Storage Alloys: Advances, Strategies, and Future Outlook for Clean Energy Applications Magnesium-based hydrogen storage alloys have attracted significant attention as promising materials for solid-state hydrogen storage due to their high hydrogen storage capacity, abundant reserves, low cost, and reversibility. However, the widespread application of these alloys is hindered by several challenges, including slow hydrogen absorption/desorption kinetics, high thermodynamic stability of magnesium hydride, and limited cycle life. This comprehensive review provides an in-depth overview of the recent advances in magnesium-based hydrogen storage alloys, covering their fundamental properties, synthesis methods, modification strategies, hydrogen storage performance, and potential applications. The review discusses the thermodynamic and kinetic properties of magnesium-based alloys, as well as the effects of alloying, nanostructuring, and surface modification on their hydrogen storage performance. The hydrogen absorption/desorption properties of different magnesium-based alloy systems are compared, and the influence of various modification strategies on these properties is examined. The review also explores the potential applications of magnesium-based hydrogen storage alloys, including mobile and stationary hydrogen storage, rechargeable batteries, and thermal energy storage. Finally, the current challenges and future research directions in this field are discussed, highlighting the need for fundamental understanding of hydrogen storage mechanisms, development of novel alloy compositions, optimization of modification strategies, integration of magnesium-based alloys into hydrogen storage systems, and collaboration between academia and industry. Hydrogen storage ; Hydrogen ; Materials science ; Magnesium hydride ; Magnesium ; Energy storage ; Alloy ; Desorption ; Hydrogen fuel ; Nanotechnology ; Process engineering ; Metallurgy ; Chemistry ; Thermodynamics ; Adsorption ; Engineering ; Physics Hydrogen Storage and Materials ; Ammonia Synthesis and Nitrogen Reduction ; MXene and MAX Phase Materials