jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yunqi Cao | Haozhen Chi | Ziying Zhu | Shuyu Fan | Yicheng Zhang | Yongkui Tang | Dibo Hou
Source: Advanced Functional Materials (article, 2024-11-27)
Field: Materials Science — Materials Chemistry

Multi‐Functional Self‐Sensing Electronic Gasket for Structural Health Monitoring of Transportation Pipelines Abstract In advancing “smart city” initiatives, multi‐functional sensing devices are crucial for the structural health monitoring (SHM) of key infrastructures. This study presents a self‐sensing sealing electronic gasket (e‐gasket) featuring multi‐modal interdigitated‐electrode‐based sensors for underground pipeline damage assessments, via simultaneously detected distribution information of contact pressure and relative humidity (RH). Detecting performance is enhanced through functional surface coatings and optimized pore size of the porous foam layer. An equivalent decoupling model for precise detection is established by analyzing the electrical responses of capacitance and impedance, and a rough estimation method relying on relative response is investigated to reduce the energy consumption and enhance monitoring efficiency. It demonstrates excellent multi‐modal sensing capabilities, repeatability, and stability over the long term. Experimental results verify the effectiveness in condition detection, fault classification, damage severity assessment, and early warning functions of the e‐gasket, enabling comprehensive SHM. Materials science ; Gasket ; Pipeline transport ; Structural health monitoring ; Construction engineering ; Forensic engineering ; Nanotechnology ; Systems engineering ; Mechanical engineering ; Composite material ; Engineering High voltage insulation and dielectric phenomena ; Smart Materials for Construction ; Concrete Corrosion and Durability
Authors: Dana Cohen‐Gerassi | Or Messer | Gal Finkelstein‐Zuta | Moran Aviv | Bar Favelukis | Yosi Shacham‐Diamand | Maxim Sokol | Lihi Adler‐Abramovich
Source: Advanced Healthcare Materials (article, 2024-03-27)
Field: Materials Science — Materials Chemistry

Conductive Peptide‐Based MXene Hydrogel as a Piezoresistive Sensor Wearable pressure sensors have become increasingly popular for personal healthcare and motion detection applications due to recent advances in materials science and functional nanomaterials. In this study, a novel composite hydrogel is presented as a sensitive piezoresistive sensor that can be utilized for various biomedical applications, such as wearable skin patches and integrated artificial skin that can measure pulse and blood pressure, as well as monitor sound as a self-powered microphone. The hydrogel is composed of self-assembled short peptides containing aromatic, positively- or negatively charged amino acids combined with 2D Ti<sub>3</sub>C<sub>2</sub>T<sub>z</sub> MXene nanosheets. This material is low-cost, facile, reliable, and scalable for large areas while maintaining high sensitivity, a wide detection range, durability, oxidation stability, and biocompatibility. The bioinspired nanostructure, strong mechanical stability, and ease of functionalization make the assembled peptide-based composite MXene-hydrogel a promising and widely applicable material for use in bio-related wearable electronics. Piezoresistive effect ; Materials science ; Electrical conductor ; Self-healing hydrogels ; Peptide ; Nanotechnology ; Composite material ; Chemistry ; Polymer chemistry MXene and MAX Phase Materials ; 2D Materials and Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Qin Ouyang | Z. Hugh Fan | Hui-Lin Chang | Muhammad Shoaib | Quansheng Chen
Source: Food Chemistry (article, 2024-10-19)
Field: Chemistry — Analytical Chemistry

Analyzing TVB-N in snakehead by Bayesian-optimized 1D-CNN using molecular vibrational spectroscopic techniques: Near-infrared and Raman spectroscopy Raman spectroscopy ; Snakehead ; Infrared ; Infrared spectroscopy ; Analytical Chemistry (journal) ; Spectroscopy ; Chemistry ; Materials science ; Physics ; Optics ; Biology ; Astronomy ; Environmental chemistry ; Organic chemistry ; Fish <Actinopterygii> ; Fishery Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Water Quality Monitoring and Analysis
Authors: Yue Sun | Xi Wu | Jianguo Li | Milad Radiom | Raffaele Mezzenga | Chandra Verma | Jing Yu | Ali Miserez
Source: Nature Communications (article, 2024-11-21)
Field: Materials Science — Biomaterials

Phase-separating peptide coacervates with programmable material properties for universal intracellular delivery of macromolecules Phase-separating peptides (PSPs) self-assembling into coacervate microdroplets (CMs) are a promising class of intracellular delivery vehicles that can release macromolecular modalities deployed in a wide range of therapeutic treatments. However, the molecular grammar governing intracellular uptake and release kinetics of CMs remains elusive. Here, we systematically manipulate the sequence of PSPs to unravel the relationships between their molecular structure, the physical properties of the resulting CMs, and their delivery efficacy. We show that a few amino acid alterations are sufficient to modulate the viscoelastic properties of CMs towards either a gel-like or a liquid-like state as well as their binding interaction with cellular membranes, collectively enabling to tune the kinetics of intracellular cargo release. We also demonstrate that the optimized PSPs CMs display excellent transfection efficiency in hard-to-transfect cells such as primary fibroblasts and immune cells. Our findings provide molecular guidelines to precisely program the material properties of PSP CMs and achieve tunable cellular uptake and release kinetics depending on the cargo modality, with broad implications for therapeutic applications such as protein, gene, and immune cell therapies. Coacervate ; Macromolecule ; Intracellular ; Peptide ; Phase (matter) ; Nanotechnology ; Chemistry ; Biophysics ; Materials science ; Biochemistry ; Biology Electrospun Nanofibers in Biomedical Applications ; Polymer Surface Interaction Studies ; RNA Interference and Gene Delivery
Authors: Chandra Sekhar Rout | Pratik V. Shinde | Abhinandan Patra | Sang Mun Jeong
Source: Advanced Science (article, 2024-03-25)
Field: Materials Science — Materials Chemistry

Recent Developments and Future Perspectives of Molybdenum Borides and MBenes Metal borides have received a lot of attention recently as a potentially useful material for a wide range of applications. In particular, molybdenum-based borides and MBenes are of great significance, due to their remarkable properties like good electronic conductivity, considerable stability, high surface area, and environmental harmlessness. Therefore, in this article, the progress made in molybdenum-based borides and MBenes in recent years is reviewed. The first step in understanding these materials is to begin with an overview of their structural and electronic properties. Then synthetic technologies for the production of molybdenum borides, such as high-temperature/pressure methods, physical vapor deposition (PVD), chemical vapor deposition (CVD), element reaction route, molten salt-assisted, and selective etching methods are surveyed. Then, the critical performance of these materials in numerous applications like energy storage, catalysis, biosensors, biomedical devices, surface-enhanced Raman spectroscopy (SERS), and tribology and lubrication are summarized. The review concludes with an analysis of the current progress of these materials and provides perspectives for future research. Overall, this review will offer an insightful reference for the understanding molybdenum-based borides and their development in the future. Molybdenum ; Materials science ; Metallurgy ; Nanotechnology MXene and MAX Phase Materials ; Ammonia Synthesis and Nitrogen Reduction ; Inorganic Chemistry and Materials
Authors: Ismail Altinbasak | Yasin Alp | Rana Sanyal | Amitav Sanyal
Source: Nanoscale (review, 2024-01-01)
Field: Materials Science — Biomaterials

Theranostic nanogels: multifunctional agents for simultaneous therapeutic delivery and diagnostic imaging In recent years, there has been a growing interest in multifunctional theranostic agents capable of delivering therapeutic payloads while facilitating simultaneous diagnostic imaging of diseased sites. This approach offers a comprehensive strategy particularly valuable in dynamically evolving diseases like cancer, where combining therapy and diagnostics provides crucial insights for treatment planning. Nanoscale platforms, specifically nanogels, have emerged as promising candidates due to their stability, tunability, and multifunctionality as carriers. As a well-studied subgroup of soft polymeric nanoparticles, nanogels exhibit inherent advantages due to their size and chemical compositions, allowing for passive and active targeting of diseased tissues. Moreover, nanogels loaded with therapeutic and diagnostic agents can be designed to respond to specific stimuli at the disease site, enhancing their efficacy and specificity. This capability enables fine-tuning of theranostic platforms, garnering significant clinical interest as they can be tailored for personalized treatments. The ability to monitor tumor progression in response to treatment facilitates the adaptation of therapies according to individual patient responses, highlighting the importance of designing theranostic platforms to guide clinicians in making informed treatment decisions. Consequently, the integration of therapy and diagnostics using theranostic platforms continues to advance, offering intelligent solutions to address the challenges of complex diseases such as cancer. In this context, nanogels capable of delivering therapeutic payloads and simultaneously armed with diagnostic modalities have emerged as an attractive theranostic platform. This review focuses on advances made toward the fabrication and utilization of theranostic nanogels by highlighting examples from recent literature where their performances through a combination of therapeutic agents and imaging methods have been evaluated. Modular design ; Nanotechnology ; Cancer therapy ; Imaging agent ; Computer science ; Materials science ; Cancer ; Medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Jiaqiang Wang | Chih‐Hsing Wang | Chi-Chi Wu | Kai‐Hsin Chang | Chun‐Hsiang Wang | Yi‐Hung Liu | Chao‐Tsen Chen | Pi‐Tai Chou
Source: Journal of the American Chemical Society (article, 2024-01-30)
Field: Chemistry — Physical and Theoretical Chemistry

Hydrogen-Bonded Thiol Undergoes Unconventional Excited-State Intramolecular Proton-Transfer Reactions The chapter on the thiol-related hydrogen bond (H-bond) and its excited-state intramolecular proton-transfer (ESIPT) reaction was recently opened where compound 4'-diethylamino-3-mercaptoflavone (<b>3NTF</b>) undergoes ESIPT in both cyclohexane solution and solid, giving a 710 nm tautomer emission with an anomalously large Stokes shift of 12,230 cm<sup>-1</sup>. Considering the thiol H-bond to be unconventional compared to the conventional Pauling-type -OH or -NH H-bond, it is thus essential and timely to probe its fundamental difference between their ESIPT. However, thiol-associated ESIPT tends to be nonemissive due to the dominant <i>n</i>π* character of the tautomeric lowest excited state. Herein, based on the 3-mercaptoflavone scaffold and π-elongation concept, a new series of 4'-substituted-7-diethylamino-3-mercaptoflavones, <b>NTFs</b>, was designed and synthesized with varied H-bond strength and 690-720 nm tautomeric emission upon ultraviolet (UV) excitation in cyclohexane. The order of their H-bonding strength was experimentally determined to be <b>N-NTF</b> < <b>O-NTF</b> < <b>H-NTF</b> < <b>F-NTF</b>, while the rate of -SH ESIPT measured by fluorescence upconversion was <b>F-NTF</b> (398 fs)<sup>-1</sup> < <b>H-NTF</b> (232 fs)<sup>-1</sup> < <b>O-NTF</b> (123 fs)<sup>-1</sup> < <b>N-NTF</b> (101 fs)<sup>-1</sup> in toluene. Unexpectedly, the strongest H-bonded <b>F-NTF</b> gives the slowest ESIPT, which does not conform to the traditional ESIPT model. The results are rationalized by the trend of carbonyl oxygen basicity rather than -SH acidity. Namely, the thiol acidity relevant to the H-bond strength plays a minor role in the driving force of ESIPT. Instead, the proton-accepting strength governs ESIPT. That is to say, the noncanonical thiol H-bonding system undergoes an unconventional type of ESIPT. Chemistry ; Intramolecular force ; Excited state ; Proton ; Thiol ; Photochemistry ; Hydrogen bond ; Hydrogen ; Molecule ; Stereochemistry ; Organic chemistry ; Atomic physics Photochemistry and Electron Transfer Studies ; Radical Photochemical Reactions ; Photochromic and Fluorescence Chemistry
Authors: Md. Musavvir Mahmud | Nikhil Pandey | Jeffrey A. Winkles | Graeme F. Woodworth | Anthony J. Kim
Source: Nano Today (article, 2024-05-18)
Field: Materials Science — Biomaterials

Toward the scale-up production of polymeric nanotherapeutics for cancer clinical trials Scale (ratio) ; Production (economics) ; Cancer ; Nanotechnology ; Materials science ; Medicine ; Internal medicine ; Physics Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoparticles: synthesis and applications
Authors: Ting Cui | Songhee Choi | Ting Lin | Chen Liu | Gang Wang | Ningning Wang | Shengru Chen | Haitao Hong | Dongke Rong | Qianying Wang | Qiao Jin | Jiaou Wang | Lin Gu | Chen Ge | Can Wang | Jinguang Cheng | Qinghua Zhang | Liang Si | Kuijuan Jin | Er‐Jia Guo
Source: Communications Materials (article, 2024-03-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Strain-mediated phase crossover in Ruddlesden–Popper nickelates Abstract Recent progress on the signatures of pressure-induced high-temperature superconductivity in Ruddlesden–Popper (RP) nickelates (La n +1 Ni n O 3 n +1 ) has attracted growing interest in both theoretical calculations and experimental efforts. The fabrication of high-quality single-crystalline RP nickelate thin films is critical for possible reducing the superconducting transition pressure and advancing applications in microelectronics in the future. In this study, we report the observations of an active phase transition in RP nickelate films induced by misfit strain. We found that RP nickelate films favor the perovskite structure ( n = ∞) under tensile strains, while compressive strains stabilize the La 3 Ni 2 O 7 ( n = 2) phase. The selection of distinct phases is governed by the strain dependent formation energy and electronic configuration. In compressively strained La 3 Ni 2 O 7 , we experimentally determined the e g splitting energy is ~0.2 eV and electrons prefer to occupy in-plane orbitals. First-principles calculations unveil a robust coupling between strain effects and the valence state of Ni ions in RP nickelates, suggesting a dual driving force for the inevitable phase co-existence transition in RP nickelates. Our work underscores the sensitivity of RP nickelate formation to epitaxial strain, presenting a significant challenge in fabricating pure-phase RP nickelate films. Therefore, special attention to stacking defects and grain boundaries between different RP phases is essential when discussing the pressure-induced superconductivity in RP nickelates. Superconductivity ; Materials science ; Condensed matter physics ; Valence (chemistry) ; Perovskite (structure) ; Phase (matter) ; Thin film ; Crystallography ; Nanotechnology ; Chemistry ; Physics Magnetic and transport properties of perovskites and related materials ; Physics of Superconductivity and Magnetism ; Advanced Condensed Matter Physics
Authors: Haoran Zeng | Huihui Yu | Baishan Liu | Shucao Lu | Xiaofu Wei | Gao Li | Mengyu Hong | Xiankun Zhang | Zheng Zhang | Yue Zhang
Source: Advanced Functional Materials (article, 2024-03-19)
Field: Materials Science — Materials Chemistry

Gradient‐Strained Van Der Waals Heterojunctions for High‐Efficient Photodetectors Abstract Maximizing light‐to‐electricity conversion efficiency is a crucial challenge for the practical applications of 2D material photodetectors. However, due to the lack of stable and precise electronic structure control methods for 2D materials, the driving force of photogenerated carriers is insufficient that severely hinders the efficiency of separation and transport. Herein, a gradient‐modulated, stable and precise strain applied strategy for 2D materials is designed and constructed, which results in a significant improvement in the detect efficiency of ZnO/WSe 2 /graphene van der Waals heterojunction photodetectors. Different from the overall strain of all‐component materials in typical photodetectors, biaxial tensile strain is applied to WSe 2 that can be precisely modulated by controlling the height of ZnO nanorods, while the strain is nearly unaffected to ZnO. As the strain modulation increases from 1.3% to 4.0%, the external quantum efficiency ( EQE ) of the heterojunction increases from 11.4% to 35.3%, representing a threefold increase. Furthermore, with increasing strain, the EQE can reach higher levels. Moreover, the strain‐enhanced conversion efficiency mechanism is elucidated that results from the synergistic effect of the strain‐induced WSe 2 exciton convergence and the strain‐increased ZnO/WSe 2 interface barrier, which enhances the carrier interface separation efficiency. Materials science ; Heterojunction ; Photodetector ; van der Waals force ; Optoelectronics ; Physics ; Molecule ; Quantum mechanics 2D Materials and Applications ; Nanowire Synthesis and Applications ; Graphene research and applications
Authors: Xinyu Zhao | Zenghong Chen | Shuo Zhang | Zhiyuan Hu | Jie Shan | Min Wang | Xu‐Lin Chen | Xianwen Wang
Source: Journal of Nanobiotechnology (article, 2024-07-01)
Field: Chemistry — Inorganic Chemistry

Application of metal-organic frameworks in infectious wound healing Metal-organic frameworks (MOFs) are metal-organic skeleton compounds composed of self-assembled metal ions or clusters and organic ligands. MOF materials often have porous structures, high specific surface areas, uniform and adjustable pores, high surface activity and easy modification and have a wide range of prospects for application. MOFs have been widely used. In recent years, with the continuous expansion of MOF materials, they have also achieved remarkable results in the field of antimicrobial agents. In this review, the structural composition and synthetic modification of MOF materials are introduced in detail, and the antimicrobial mechanisms and applications of these materials in the healing of infected wounds are described. Moreover, the opportunities and challenges encountered in the development of MOF materials are presented, and we expect that additional MOF materials with high biosafety and efficient antimicrobial capacity will be developed in the future. Metal-organic framework ; Nanotechnology ; Materials science ; Surface modification ; Antimicrobial ; Biosafety ; Metal ; Chemistry ; Chemical engineering ; Organic chemistry ; Metallurgy ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Dendrimers and Hyperbranched Polymers
Authors: D.D.L. Chung
Source: Advanced Functional Materials (review, 2024-07-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A Review of Microwave Absorption and Reflection by Cement‐Based Materials, With Emphasis on Electromagnetic Interference Shielding and Admixture Effects Abstract Cement‐based materials can be modified for microwave reflection/absorption. Admixtures (particles or short fibers) include conductive, dielectric, and magnetic ones, used solely or in combination. Synergism occurs with conductive and magnetic admixtures, due to the enabled eddy current. The conductive admixture promotes absorption and reflection, whether steel rebars are present or not. Regardless of the admixtures, rebars, or aggregates, absorption loss dominates over reflection loss. Steel microfiber is more effective than carbon fiber. Fly ash enhances the absorption slightly, due to the included iron oxide. Because of the skin effect, a small admixture unit size is preferred. Thus, carbon nanofiber is more effective than carbon fiber, if it is adequately dispersed. Fine particles (such as silica fume) as an additional admixture help the dispersion. Nanoscale admixtures tend to fill the pores, so their functional effectiveness is limited. Carbon black (nanoparticles) is less effective than carbon fiber, but it is inexpensive and the combined use of carbon fiber and carbon black is effective. The high cost of the nanofibers and the difficulty of their dispersion limit their practicality. Another approach involves porous admixtures or aggregates for reducing the impedance mismatch so that reflection is lessened and more radiation enters the cement‐based material. Materials science ; Reflection loss ; Composite material ; Absorption (acoustics) ; Electrical conductor ; Carbon black ; Electromagnetic shielding ; Microwave ; Reflection (computer programming) ; Dispersion (optics) ; Optics ; Composite number Electromagnetic wave absorption materials ; Smart Materials for Construction ; Advanced Energy Technologies and Civil Engineering Innovations
Authors: Hongyu Yu | Yang Zhong | Liangliang Hong | Changsong Xu | Wei Ren | Xin-Gao Gong | Hongjun Xiang
Source: Physical review. B./Physical review. B (article, 2024-04-26)
Field: Materials Science — Materials Chemistry

Spin-dependent graph neural network potential for magnetic materials The development of machine-learning interatomic potentials has immensely contributed to the accuracy of simulations of molecules and crystals. However, creating interatomic potentials for magnetic systems that account for both magnetic moments and structural degrees of freedom remains a challenge. This work introduces SpinGNN, a spin-dependent interatomic potential approach that employs the graph neural network (GNN) to describe magnetic systems. SpinGNN consists of two types of edge GNNs: Heisenberg edge GNN (HEGNN) and spin-distance edge GNN (SEGNN). HEGNN is tailored to capture Heisenberg-type spin-lattice interactions, while SEGNN accurately models multibody and high-order spin-lattice coupling. The effectiveness of SpinGNN is demonstrated by its exceptional precision in fitting a high-order spin Hamiltonian and two complex spin-lattice Hamiltonians with great precision. Furthermore, it successfully models the subtle spin-lattice coupling in $\mathrm{BiFe}{\mathrm{O}}_{3}$ and performs large-scale spin-lattice dynamics simulations, predicting its antiferromagnetic ground state, magnetic phase transition, and domain-wall energy landscape with high accuracy. Finally, we perform spin-lattice simulations over one million atoms across GPUs in parallel. Our study broadens the scope of graph neural network potentials to magnetic systems, serving as a foundation for carrying out large-scale spin-lattice dynamic simulations in first-principle accuracy on such systems. Heisenberg model ; Physics ; Lattice (music) ; Interatomic potential ; Condensed matter physics ; Antiferromagnetism ; Hamiltonian (control theory) ; Ground state ; Artificial neural network ; Statistical physics ; Computer science ; Molecular dynamics ; Quantum mechanics ; Mathematics ; Artificial intelligence Machine Learning in Materials Science ; Ferroelectric and Negative Capacitance Devices ; Topic Modeling